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N-(3-aminophenyl)-2-(dimethylamino)acetamide
N-(3-aminophenyl)-2-(dimethylamino)acetamide ID: AN-27861
CAS:562826-95-3
Supplier:AN PharmaTech Co Ltd

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SMILES:O=C(Nc1cc(N)ccc1)CN(C)C	16792360
FORMULA: C10H15N3O
MASS: 193.2456
EXACT MASS: 193.1215121
INTERATOMIC DISTANCES

              O   1      N   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   N   2    2.0000     0.0000 
   N   3    1.7320     2.6457     0.0000 
   N   4    4.5826     6.0828     3.4641     0.0000 
   C   5    1.7320     1.0000     1.7320     5.1962     0.0000 
   C   6    1.0000     1.7320     1.0000     4.3589     1.0000     0.0000 
   C   7    2.0000     3.4641     1.0000     2.6458     2.6457     1.7320 
   C   8    3.0000     1.0000     3.4641     6.9282     1.7320     2.6457 
   C   9    1.7321     1.0001     3.0000     6.2450     1.7321     2.0000 
   C  10    2.9999     4.3589     1.7320     1.7321     3.4641     2.6457 
   C  11    1.7320     3.6055     1.7320     3.0000     3.0000     2.0000 
   C  12    3.6055     5.1961     2.6457     1.0001     4.3589     3.4641 
   C  13    2.6457     4.5826     2.6457     2.6458     4.0000     3.0000 
   C  14    3.4641     5.2915     3.0000     1.7321     4.5826     3.6055 
   H  15    2.3451     1.0812     2.1829     5.6148     0.6200     1.5967 
   H  16    2.0295     1.5968     1.4155     4.8210     0.6200     1.0812 
   H  17    2.2901     2.8292     0.6201     3.5191     1.8397     1.4158 
   H  18    3.0634     1.1766     3.8121     7.2581     2.1114     2.9083 
   H  19    3.6200     1.6200     4.0130     7.4716     2.2901     3.2380 
   H  20    1.1121     1.1766     2.4825     5.6452     1.5201     1.4956 
   H  21    1.8397     1.6200     3.3533     6.4222     2.2901     2.3716 
   H  22    2.3521     1.1767     3.5505     6.8485     2.1115     2.5558 
   H  23    3.0634     1.1766     3.1995     6.6399     1.5200     2.5121 
   H  24    3.3533     4.4726     1.8397     1.8397     3.5192     2.8292 
   H  25    1.2346     3.2069     1.8397     3.6201     2.7431     1.7733 
   H  26    2.8292     4.8212     3.1408     3.1409     4.3433     3.3533 
   H  27    4.0130     5.8808     3.6200     1.8397     5.1927     4.2100 
   H  28    5.0104     6.6018     4.0131     0.6200     5.7415     4.8708 
   H  29    4.8212     6.1647     3.5192     0.6200     5.2330     4.4726 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    4.3589     0.0000 
   C   9    3.6056     1.7321     0.0000 
   C  10    1.0000     5.1961     4.5826     0.0000 
   C  11    1.0000     4.5826     3.4641     1.7320     0.0000 
   C  12    1.7320     6.0827     5.2915     1.0000     2.0000     0.0000 
   C  13    1.7320     5.5678     4.3589     2.0000     1.0000     1.7320 
   C  14    2.0000     6.2450     5.1962     1.7320     1.7320     1.0000 
   H  15    3.1512     1.4155     2.0295     3.8917     3.5889     4.8281 
   H  16    2.4059     2.1829     2.3452     3.1021     2.9561     4.0506 
   H  17    1.4158     3.5192     3.3533     1.8397     2.2901     2.8292 
   H  18    4.6402     0.6200     1.5201     5.5322     4.7390     6.3722 
   H  19    4.9340     0.6200     2.2901     5.7414     5.1927     6.6486 
   H  20    3.0148     2.1114     0.6200     4.0019     2.8442     4.6842 
   H  21    3.8242     2.2901     0.6200     4.8212     3.5192     5.4428 
   H  22    4.2047     1.5201     0.6200     5.1724     4.0841     5.9015 
   H  23    4.1517     0.6200     2.1115     4.9155     4.5067     5.8449 
   H  24    1.4158     5.2330     4.8213     0.6201     2.2901     1.4158 
   H  25    1.4158     4.2029     2.9435     2.2901     0.6201     2.6200 
   H  26    2.2901     5.8193     4.4726     2.6200     1.4158     2.2901 
   H  27    2.6200     6.8428     5.7415     2.2901     2.2901     1.4158 
   H  28    3.1408     7.4716     6.7056     2.2901     3.3533     1.4158 
   H  29    2.8292     6.9559     6.4222     1.8397     3.3533     1.4158 

              C  13      C  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.0000     0.0000 
   H  15    4.5875     5.1245     0.0000 
   H  16    3.9399     4.3997     0.7971     0.0000 
   H  17    3.1408     3.3533     2.1356     1.3414     0.0000 
   H  18    5.6972     6.4445     1.9300     2.6421     3.9475     0.0000 
   H  19    6.1810     6.8428     1.8777     2.6726     4.0130     0.8768 
   H  20    3.7437     4.5762     1.9808     2.0775     2.8996     2.0379 
   H  21    4.3318     5.2330     2.6367     2.8867     3.7760     1.9721 
   H  22    4.9753     5.8161     2.2546     2.7299     3.8537     1.1121 
   H  23    5.5055     6.1022     1.0254     1.8217     3.1552     1.2400 
   H  24    2.6200     2.2901     3.8654     3.0690     1.7320     5.6264 
   H  25    1.4158     2.2901     3.3572     2.8258     2.4523     4.2961 
   H  26    0.6201     1.4158     4.9496     4.3562     3.6740     5.8870 
   H  27    1.4158     0.6200     5.7400     5.0188     3.9665     7.0254 
   H  28    2.8292     1.8397     6.1817     5.3920     4.1077     7.7784 
   H  29    3.1408     2.2901     5.5966     4.7998     3.4641     7.3301 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    2.7145     0.0000 
   H  21    2.8059     0.8768     0.0000 
   H  22    1.9722     1.2399     0.8768     0.0000 
   H  23    0.8768     2.3521     2.7145     2.0380     0.0000 
   H  24    5.7415     4.2732     5.1242     5.3850     4.8869     0.0000 
   H  25    4.8212     2.3279     2.9435     3.5606     4.2001     2.8060 
   H  26    6.4384     3.8755     4.3589     5.0752     5.8173     3.2401 
   H  27    7.4443     5.1225     5.7415     6.3606     6.7127     2.8059 
   H  28    8.0261     6.0965     6.8429     7.3166     7.2051     2.4522 
   H  29    7.4716     5.8406     6.6526     7.0104     6.6187     1.7320 

              H  25      H  26      H  27      H  28      H  29
              -------------------------------------------------------
   H  25    0.0000 
   H  26    1.6200     0.0000 
   H  27    2.8059     1.6200     0.0000 
   H  28    3.9666     3.2380     1.7321     0.0000 
   H  29    3.9666     3.6740     2.4522     1.0739     0.0000 



ATOMIC CHARGES
   O   1   -0.2740624380
   N   2   -0.3001480530
   N   3   -0.2843840629
   N   4   -0.3579125346
   C   5    0.0755516355
   C   6    0.2312644833
   C   7    0.0351608438
   C   8   -0.0125720259
   C   9   -0.0125720259
   C  10   -0.0197937112
   C  11   -0.0403614461
   C  12    0.0263047440
   C  13   -0.0582723228
   C  14   -0.0409340517
   H  15    0.0521720925
   H  16    0.0521720925
   H  17    0.1548429593
   H  18    0.0390639783
   H  19    0.0390639783
   H  20    0.0390639783
   H  21    0.0390639783
   H  22    0.0390639783
   H  23    0.0390639783
   H  24    0.0654449110
   H  25    0.0636063349
   H  26    0.0618722439
   H  27    0.0635897491
   H  28    0.1423233561
   H  29    0.1423233561


BOND ANGLES
   5    2    8   C3   N3   C3    120.001
   5    2    9   C3   N3   C3    120.001
   8    2    9   C3   N3   C3    119.998
   6    3    7   C2  Nam  Car    120.001
   6    3   17   C2  Nam   HC    120.002
   7    3   17  Car  Nam   HC    119.997
  12    4   28  Car  Npl   HC    119.998
  12    4   29  Car  Npl   HC    120.000
  28    4   29   HC  Npl   HC    120.002
   2    5    6   N3   C3   C2    120.001
   2    5   15   N3   C3   HC     79.995
   2    5   16   N3   C3   HC    160.002
   6    5   15   C2   C3   HC    160.004
   6    5   16   C2   C3   HC     79.997
  15    5   16   HC   C3   HC     80.007
   1    6    3   O2   C2  Nam    119.999
   1    6    5   O2   C2   C3    120.001
   3    6    5  Nam   C2   C3    120.001
   3    7   10  Nam  Car  Car    120.001
   3    7   11  Nam  Car  Car    120.001
  10    7   11  Car  Car  Car    119.999
   2    8   18   N3   C3   HC     90.000
   2    8   19   N3   C3   HC    179.974
   2    8   23   N3   C3   HC     90.000
  18    8   19   HC   C3   HC     90.000
  18    8   23   HC   C3   HC    179.974
  19    8   23   HC   C3   HC     90.000
   2    9   20   N3   C3   HC     89.996
   2    9   21   N3   C3   HC    179.974
   2    9   22   N3   C3   HC     90.004
  20    9   21   HC   C3   HC     90.000
  20    9   22   HC   C3   HC    179.974
  21    9   22   HC   C3   HC     90.000
   7   10   12  Car  Car  Car    120.001
   7   10   24  Car  Car   HC    120.002
  12   10   24  Car  Car   HC    119.997
   7   11   13  Car  Car  Car    120.001
   7   11   25  Car  Car   HC    120.002
  13   11   25  Car  Car   HC    119.997
   4   12   10  Npl  Car  Car    119.998
   4   12   14  Npl  Car  Car    120.001
  10   12   14  Car  Car  Car    120.001
  11   13   14  Car  Car  Car    120.001
  11   13   26  Car  Car   HC    119.997
  14   13   26  Car  Car   HC    120.002
  12   14   13  Car  Car  Car    119.999
  12   14   27  Car  Car   HC    120.001
  13   14   27  Car  Car   HC    120.001


TORSION ANGLES
   8    2    5    6    179.974
   8    2    5   15      0.026
   8    2    5   16      0.026
   9    2    5    6      0.026
   9    2    5   15    179.974
   9    2    5   16    179.974
   5    2    8   18    179.974
   5    2    8   19    180.000
   5    2    8   23      0.026
   9    2    8   18      0.026
   9    2    8   19    180.000
   9    2    8   23    179.974
   5    2    9   20      0.026
   5    2    9   21      0.026
   5    2    9   22    179.974
   8    2    9   20    179.974
   8    2    9   21    179.974
   8    2    9   22      0.026
   7    3    6    1      0.026
   7    3    6    5    179.974
  17    3    6    1    179.974
  17    3    6    5      0.026
   6    3    7   10    179.974
   6    3    7   11      0.026
  17    3    7   10      0.026
  17    3    7   11    179.974
  28    4   12   10    179.974
  28    4   12   14      0.026
  29    4   12   10      0.026
  29    4   12   14    179.974
   2    5    6    1      0.026
   2    5    6    3    179.974
  15    5    6    1    179.974
  15    5    6    3      0.026
  16    5    6    1    179.974
  16    5    6    3      0.026
   3    7   10   12    179.974
   3    7   10   24      0.026
  11    7   10   12      0.026
  11    7   10   24    179.974
   3    7   11   13    179.974
   3    7   11   25      0.026
  10    7   11   13      0.026
  10    7   11   25    179.974
   7   10   12    4    179.974
   7   10   12   14      0.026
  24   10   12    4      0.026
  24   10   12   14    179.974
   7   11   13   14      0.026
   7   11   13   26    179.974
  25   11   13   14    179.974
  25   11   13   26      0.026
   4   12   14   13    179.974
   4   12   14   27      0.026
  10   12   14   13      0.026
  10   12   14   27    179.974
  11   13   14   12      0.026
  11   13   14   27    179.974
  26   13   14   12    179.974
  26   13   14   27      0.026