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(2S)-2-amino-3-methyl-1,1-diphenyl-butan-1-ol
(2S)-2-amino-3-methyl-1,1-diphenyl-butan-1-ol ID: AN-36652
CAS:78603-95-9
Supplier:AN PharmaTech Co Ltd

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SMILES:OC([C@@H](N)C(C)C)(c1ccccc1)c1ccccc1	854145
FORMULA: C17H21NO
MASS: 255.3547
EXACT MASS: 255.1623143
INTERATOMIC DISTANCES

              O   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   N   2    2.9093     0.0000 
   C   3    2.0000     1.0000     0.0000 
   C   4    1.0000     1.9318     1.0000     0.0000 
   C   5    2.6457     1.4142     1.0000     1.7320     0.0000 
   C   6    1.4142     1.9318     1.4142     1.0000     2.3942     0.0000 
   C   7    1.4142     2.3942     1.4142     1.0000     1.5060     2.0000 
   C   8    3.6055     1.5060     1.7320     2.6457     1.0000     3.1196 
   C   9    3.4641     2.2360     2.0000     2.6457     1.0000     3.3858 
   C  10    1.5060     2.9093     2.3942     1.7320     3.3460     1.0000 
   C  11    2.3942     2.2361     1.5060     1.7320     0.8966     2.6457 
   C  12    2.3942     1.4142     1.5060     1.7320     2.4495     1.0000 
   C  13    1.5060     3.3858     2.3942     1.7320     2.4495     2.6457 
   C  14    2.5036     3.3858     3.1196     2.6457     4.1144     1.7320 
   C  15    3.1196     3.1623     2.5036     2.6457     1.7527     3.6055 
   C  16    3.1196     2.2361     2.5036     2.6457     3.4252     1.7320 
   C  17    2.5036     4.0576     3.1196     2.6457     2.8754     3.6055 
   C  18    3.1623     3.1196     3.1623     3.0000     4.1468     2.0000 
   C  19    3.1623     3.9664     3.1623     3.0000     2.6084     4.0000 
   H  20    1.9345     1.0313     0.6200     1.0312     1.6069     0.9304 
   H  21    2.2884     1.9037     1.1766     1.5200     0.6200     2.3796 
   H  22    3.5086     0.9790     1.5200     2.5121     1.1766     2.7933 
   H  23    3.8121     2.0358     2.0939     2.9083     1.1766     3.5075 
   H  24    4.0130     2.8044     2.6200     3.2380     1.6200     4.0028 
   H  25    3.1995     2.5737     2.0939     2.5121     1.1766     3.3756 
   H  26    4.2100     1.8543     2.2901     3.2380     1.6200     3.6354 
   H  27    3.8024     2.0847     2.1114     2.9083     1.1766     3.5256 
   H  28    3.4083     0.6201     1.4158     2.4105     1.3894     2.5358 
   H  29    3.0771     0.6200     1.4158     2.1763     2.0194     1.8699 
   H  30    0.6200     3.3410     2.3716     1.4158     2.8292     2.0194 
   H  31    2.6815     1.7523     1.2564     1.8397     0.3382     2.6009 
   H  32    1.2564     3.3410     2.6815     1.8397     3.5573     1.4158 
   H  33    1.2564     3.6800     2.6815     1.8397     2.9210     2.6009 
   H  34    2.6815     0.8309     1.2564     1.8397     2.0583     1.4158 
   H  35    3.6974     3.3422     2.8388     3.1408     1.9464     4.0601 
   H  36    2.8388     4.0028     3.6974     3.1408     4.6841     2.2901 
   H  37    2.8388     4.6521     3.6974     3.1408     3.4938     4.0601 
   H  38    3.6974     2.3559     2.8388     3.1408     3.6773     2.2901 
   H  39    3.7556     4.5229     3.7556     3.6200     3.1360     4.6200 
   H  40    3.7556     3.6354     3.7556     3.6200     4.7301     2.6200 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.5036     0.0000 
   C   9    2.1297     1.0000     0.0000 
   C  10    2.6457     4.1144     4.3197     0.0000 
   C  11    1.0000     1.7527     1.1575     3.4641     0.0000 
   C  12    2.6457     2.8754     3.4252     1.7320     3.0000     0.0000 
   C  13    1.0000     3.4252     2.8754     3.0000     1.7320     3.4641 
   C  14    3.6055     4.7602     5.1111     1.0000     4.3589     2.0000 
   C  15    1.7320     2.3108     1.3696     4.3589     1.0000     4.0000 
   C  16    3.6055     3.7416     4.3813     2.0000     4.0000     1.0000 
   C  17    1.7320     3.7416     2.9671     4.0000     2.0000     4.3589 
   C  18    4.0000     4.6039     5.1373     1.7320     4.5826     1.7320 
   C  19    2.0000     3.2869     2.3681     4.5826     1.7320     4.5826 
   H  20    1.8059     2.2143     2.6038     1.9289     2.0991     0.9015 
   H  21    0.9790     1.5679     1.1766     3.2414     0.3382     2.6778 
   H  22    2.6112     0.6200     1.5679     3.7919     2.0597     2.3913 
   H  23    2.5719     0.5572     0.6201     4.4854     1.6728     3.3661 
   H  24    2.6356     1.4158     0.6201     4.9287     1.6360     4.0361 
   H  25    1.7962     1.5678     0.6200     4.2392     0.8064     3.5920 
   H  26    3.1229     0.6200     1.4158     4.6353     2.3415     3.2678 
   H  27    2.5468     0.6200     0.5572     4.4996     1.6341     3.4038 
   H  28    2.6815     1.0604     1.9638     3.5217     2.2844     2.0195 
   H  29    2.8242     2.0847     2.8551     2.7583     2.8044     1.0698 
   H  30    1.3894     3.8242     3.5191     2.0847     2.3796     2.9806 
   H  31    1.4158     1.1438     0.8063     3.5192     0.6201     2.7431 
   H  32    2.6009     4.4114     4.4854     0.6201     3.5192     2.2901 
   H  33    1.4158     3.9164     3.4459     2.7431     2.2901     3.5192 
   H  34    2.6009     2.3304     2.9824     2.2901     2.7431     0.6201 
   H  35    2.2901     2.2322     1.2323     4.8708     1.4158     4.3433 
   H  36    4.0601     5.3616     5.6754     1.4158     4.8708     2.6200 
   H  37    2.2901     4.3603     3.5697     4.3433     2.6200     4.8708 
   H  38    4.0601     3.8362     4.5811     2.6200     4.3433     1.4158 
   H  39    2.6200     3.7195     2.7504     5.1927     2.2901     5.1927 
   H  40    4.6200     5.1356     5.7135     2.2901     5.1927     2.2901 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    4.0000     0.0000 
   C  15    2.0000     5.2915     0.0000 
   C  16    4.3589     1.7320     5.0000     0.0000 
   C  17    1.0000     5.0000     1.7320     5.2915     0.0000 
   C  18    4.5826     1.0000     5.5678     1.0000     5.5678     0.0000 
   C  19    1.7320     5.5678     1.0000     5.5678     1.0000     6.0000 
   H  20    2.7045     2.5540     3.0990     1.9013     3.5372     2.5436 
   H  21    1.8576     4.1059     1.3276     3.6773     2.2580     4.2856 
   H  22    3.5920     4.3440     2.7840     3.1954     4.0510     4.0971 
   H  23    3.4039     5.1925     1.9885     4.2631     3.5697     5.0981 
   H  24    3.2678     5.7298     1.4624     4.9828     3.1844     5.7531 
   H  25    2.3913     5.1044     0.7525     4.5811     2.3737     5.2500 
   H  26    4.0361     5.2171     2.7840     4.0510     4.3079     4.9679 
   H  27    3.3660     5.2171     1.9231     4.3079     3.5154     5.1356 
   H  28    3.6800     4.0028     3.0981     2.7746     4.2335     3.6974 
   H  29    3.7853     3.0608     3.7556     1.7042     4.5352     2.6488 
   H  30    1.0605     3.0692     2.9307     3.7360     2.0127     3.7717 
   H  31    2.2901     4.3318     1.4158     3.7289     2.6200     4.4187 
   H  32    2.7431     1.4158     4.3318     2.6200     3.7289     2.2901 
   H  33    0.6201     3.7289     2.6200     4.3318     1.4158     4.4187 
   H  34    3.5192     2.6200     3.7289     1.4158     4.3318     2.2901 
   H  35    2.6200     5.7745     0.6201     5.3371     2.2901     5.9770 
   H  36    4.3433     0.6201     5.7745     2.2901     5.3371     1.4158 
   H  37    1.4158     5.3371     2.2901     5.7745     0.6201     5.9770 
   H  38    4.8708     2.2901     5.3371     0.6201     5.7745     1.4158 
   H  39    2.2901     6.1810     1.4158     6.1810     1.4158     6.6200 
   H  40    5.1927     1.4158     6.1810     1.4158     6.1810     0.6200 

              C  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   C  19    0.0000 
   H  20    3.6955     0.0000 
   H  21    2.0627     1.7792     0.0000 
   H  22    3.7195     1.8631     1.7964     0.0000 
   H  23    2.9877     2.6392     1.5930     1.1766     0.0000 
   H  24    2.4229     3.2229     1.7346     2.0319     0.8769     0.0000 
   H  25    1.7488     2.7135     1.0000     2.0738     1.2400     0.8768 
   H  26    3.7800     2.7105     2.1791     0.8768     0.8056     1.6200 
   H  27    2.9227     2.6653     1.5679     1.2400     0.0739     0.8057 
   H  28    3.9938     1.6161     1.9848     0.4467     1.6176     2.4608 
   H  29    4.5229     1.1512     2.4672     1.5060     2.6291     3.4180 
   H  30    2.7898     2.4311     2.3612     3.8211     3.9475     4.0131 
   H  31    2.2901     1.8756     0.4401     1.4473     1.1575     1.4096 
   H  32    4.4187     2.3191     3.3461     4.1588     4.7272     5.0745 
   H  33    2.2901     2.8686     2.3661     4.0155     3.9468     3.8666 
   H  34    4.4187     0.8167     2.4065     1.8071     2.8475     3.5759 
   H  35    1.4158     3.4552     1.6922     2.7888     1.7923     1.0561 
   H  36    5.9770     3.1492     4.6354     4.9571     5.7822     6.2915 
   H  37    1.4158     4.0804     2.8755     4.6699     4.1773     3.7522 
   H  38    5.9770     2.2818     4.0102     3.2469     4.3813     5.1593 
   H  39    0.6200     4.3016     2.6269     4.1993     3.3567     2.6761 
   H  40    6.6200     3.1356     4.8917     4.6039     5.6443     6.3259 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    2.0318     0.0000 
   H  27    1.1766     0.8768     0.0000 
   H  28    2.4218     1.2764     1.6788     0.0000 
   H  29    3.1876     2.3488     2.6820     1.0739     0.0000 
   H  30    3.1552     4.4422     3.9264     3.7835     3.5822     0.0000 
   H  31    0.8541     1.7473     1.1362     1.7042     2.3559     2.7905 
   H  32    4.3198     4.9684     4.7323     3.9352     3.2697     1.7294 
   H  33    2.9901     4.5346     3.9142     4.0485     4.0028     0.6597 
   H  34    3.2326     2.6787     2.8921     1.4142     0.4683     3.2160 
   H  35    0.7703     2.5937     1.7194     3.1623     3.9572     3.5394 
   H  36    5.6353     5.8284     5.8042     4.6206     3.6800     3.3482 
   H  37    2.9672     4.9231     4.1215     4.8462     5.1119     2.2750 
   H  38    4.8524     4.0572     4.4338     2.8044     1.7523     4.3084 
   H  39    2.1519     4.1616     3.2869     4.5045     5.0941     3.3499 
   H  40    5.8480     5.4643     5.6852     4.1880     3.1196     4.3584 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    3.6794     0.0000 
   H  33    2.8060     2.3800     0.0000 
   H  34    2.3800     2.8060     3.6794     0.0000 
   H  35    1.6200     4.8861     3.2401     4.0000     0.0000 
   H  36    4.8861     1.6200     4.0000     3.2401     6.2816     0.0000 
   H  37    3.2401     4.0000     1.6200     4.8861     2.8060     5.6200 
   H  38    4.0000     3.2401     4.8861     1.6200     5.6200     2.8060 
   H  39    2.8059     5.0104     2.8059     5.0104     1.6200     6.5813 
   H  40    5.0104     2.8059     5.0104     2.8059     6.5813     1.6200 

              H  37      H  38      H  39      H  40
              --------------------------------------------
   H  37    0.0000 
   H  38    6.2816     0.0000 
   H  39    1.6200     6.5813     0.0000 
   H  40    6.5813     1.6200     7.2400     0.0000 



ATOMIC CHARGES
   O   1   -0.3777169792
   N   2   -0.3241618742
   C   3    0.0447871235
   C   4    0.1310883732
   C   5   -0.0281531980
   C   6   -0.0102243995
   C   7   -0.0102243995
   C   8   -0.0611440437
   C   9   -0.0611440437
   C  10   -0.0554730922
   C  11   -0.0554730922
   C  12   -0.0554730922
   C  13   -0.0554730922
   C  14   -0.0614006452
   C  15   -0.0614006452
   C  16   -0.0614006452
   C  17   -0.0614006452
   C  18   -0.0617391722
   C  19   -0.0617391722
   H  20    0.0495952882
   H  21    0.0311520681
   H  22    0.0232828491
   H  23    0.0232828491
   H  24    0.0232828491
   H  25    0.0232828491
   H  26    0.0232828491
   H  27    0.0232828491
   H  28    0.1185827477
   H  29    0.1185827477
   H  30    0.2111478010
   H  31    0.0621303649
   H  32    0.0621303649
   H  33    0.0621303649
   H  34    0.0621303649
   H  35    0.0617676993
   H  36    0.0617676993
   H  37    0.0617676993
   H  38    0.0617676993
   H  39    0.0617583654
   H  40    0.0617583654


BOND ANGLES
   4    1   30   C3   O3   HO    120.002
   3    2   28   C3   N3   HC    120.002
   3    2   29   C3   N3   HC    120.001
  28    2   29   HC   N3   HC    119.997
   2    3    4   N3   C3   C3    149.999
   2    3    5   N3   C3   C3     90.000
   2    3   20   N3   C3   HC     75.002
   4    3    5   C3   C3   C3    120.001
   4    3   20   C3   C3   HC     74.998
   5    3   20   C3   C3   HC    165.002
   1    4    3   O3   C3   C3    179.974
   1    4    6   O3   C3  Car     90.000
   1    4    7   O3   C3  Car     90.000
   3    4    6   C3   C3  Car     90.000
   3    4    7   C3   C3  Car     90.000
   6    4    7  Car   C3  Car    179.974
   3    5    8   C3   C3   C3    120.001
   3    5    9   C3   C3   C3    179.974
   3    5   21   C3   C3   HC     90.001
   8    5    9   C3   C3   C3     59.999
   8    5   21   C3   C3   HC    149.998
   9    5   21   C3   C3   HC     89.999
   4    6   10   C3  Car  Car    120.001
   4    6   12   C3  Car  Car    120.001
  10    6   12  Car  Car  Car    119.999
   4    7   11   C3  Car  Car    120.001
   4    7   13   C3  Car  Car    120.001
  11    7   13  Car  Car  Car    119.999
   5    8   22   C3   C3   HC     90.000
   5    8   26   C3   C3   HC    179.974
   5    8   27   C3   C3   HC     90.000
  22    8   26   HC   C3   HC     90.000
  22    8   27   HC   C3   HC    179.974
  26    8   27   HC   C3   HC     90.000
   5    9   23   C3   C3   HC     90.004
   5    9   24   C3   C3   HC    179.974
   5    9   25   C3   C3   HC     90.001
  23    9   24   HC   C3   HC     90.000
  23    9   25   HC   C3   HC    179.974
  24    9   25   HC   C3   HC     89.995
   6   10   14  Car  Car  Car    120.001
   6   10   32  Car  Car   HC    120.002
  14   10   32  Car  Car   HC    119.997
   7   11   15  Car  Car  Car    120.001
   7   11   31  Car  Car   HC    120.002
  15   11   31  Car  Car   HC    119.997
   6   12   16  Car  Car  Car    120.001
   6   12   34  Car  Car   HC    120.002
  16   12   34  Car  Car   HC    119.997
   7   13   17  Car  Car  Car    120.001
   7   13   33  Car  Car   HC    120.002
  17   13   33  Car  Car   HC    119.997
  10   14   18  Car  Car  Car    120.001
  10   14   36  Car  Car   HC    119.997
  18   14   36  Car  Car   HC    120.002
  11   15   19  Car  Car  Car    120.001
  11   15   35  Car  Car   HC    119.997
  19   15   35  Car  Car   HC    120.002
  12   16   18  Car  Car  Car    120.001
  12   16   38  Car  Car   HC    119.997
  18   16   38  Car  Car   HC    120.002
  13   17   19  Car  Car  Car    120.001
  13   17   37  Car  Car   HC    119.997
  19   17   37  Car  Car   HC    120.002
  14   18   16  Car  Car  Car    119.999
  14   18   40  Car  Car   HC    120.001
  16   18   40  Car  Car   HC    120.001
  15   19   17  Car  Car  Car    119.999
  15   19   39  Car  Car   HC    120.001
  17   19   39  Car  Car   HC    120.001


TORSION ANGLES
  30    1    4    3    180.000
  30    1    4    6    179.974
  30    1    4    7      0.026
   4    3    2   28    179.974
   4    3    2   29      0.026
   5    3    2   28      0.026
   5    3    2   29    179.974
  20    3    2   28    179.974
  20    3    2   29      0.026
   2    3    4    1    180.000
   2    3    4    6      0.026
   2    3    4    7    179.974
   5    3    4    1    180.000
   5    3    4    6    179.974
   5    3    4    7      0.026
  20    3    4    1    180.000
  20    3    4    6      0.026
  20    3    4    7    179.974
   2    3    5    8      0.026
   2    3    5    9    180.000
   2    3    5   21    179.974
   4    3    5    8    179.974
   4    3    5    9    180.000
   4    3    5   21      0.026
  20    3    5    8      0.026
  20    3    5    9    180.000
  20    3    5   21    179.974
   1    4    6   10      0.026
   1    4    6   12    179.974
   3    4    6   10    179.974
   3    4    6   12      0.026
   7    4    6   10    180.000
   7    4    6   12    180.000
   1    4    7   11    179.974
   1    4    7   13      0.026
   3    4    7   11      0.026
   3    4    7   13    179.974
   6    4    7   11    180.000
   6    4    7   13    180.000
   3    5    8   22      0.026
   3    5    8   26    180.000
   3    5    8   27    179.974
   9    5    8   22    179.974
   9    5    8   26    180.000
   9    5    8   27      0.026
  21    5    8   22    179.974
  21    5    8   26    180.000
  21    5    8   27      0.026
   3    5    9   23    180.000
   3    5    9   24    180.000
   3    5    9   25    180.000
   8    5    9   23      0.026
   8    5    9   24    179.974
   8    5    9   25    179.974
  21    5    9   23    179.974
  21    5    9   24      0.026
  21    5    9   25      0.026
   4    6   10   14    179.974
   4    6   10   32      0.026
  12    6   10   14      0.026
  12    6   10   32    179.974
   4    6   12   16    179.974
   4    6   12   34      0.026
  10    6   12   16      0.026
  10    6   12   34    179.974
   4    7   11   15    179.974
   4    7   11   31      0.026
  13    7   11   15      0.026
  13    7   11   31    179.974
   4    7   13   17    179.974
   4    7   13   33      0.026
  11    7   13   17      0.026
  11    7   13   33    179.974
   6   10   14   18      0.026
   6   10   14   36    179.974
  32   10   14   18    179.974
  32   10   14   36      0.026
   7   11   15   19      0.026
   7   11   15   35    179.974
  31   11   15   19    179.974
  31   11   15   35      0.026
   6   12   16   18      0.026
   6   12   16   38    179.974
  34   12   16   18    179.974
  34   12   16   38      0.026
   7   13   17   19      0.026
   7   13   17   37    179.974
  33   13   17   19    179.974
  33   13   17   37      0.026
  10   14   18   16      0.026
  10   14   18   40    179.974
  36   14   18   16    179.974
  36   14   18   40      0.026
  11   15   19   17      0.026
  11   15   19   39    179.974
  35   15   19   17    179.974
  35   15   19   39      0.026
  12   16   18   14      0.026
  12   16   18   40    179.974
  38   16   18   14    179.974
  38   16   18   40      0.026
  13   17   19   15      0.026
  13   17   19   39    179.974
  37   17   19   15    179.974
  37   17   19   39      0.026


CHIRAL ATOMS
  37   17   19   39      0.026