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4-Piperidinoaniline
4-Piperidinoaniline ID: API-45575
CAS:2359-60-6
Supplier:APIchem

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SMILES:N1(CCCCC1)c1ccc(N)cc1	ChemMol.com
FORMULA: C11H16N2
MASS: 176.2581
EXACT MASS: 176.1313485
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    4.0000     0.0000 
   C   3    2.0000     6.0000     0.0000 
   C   4    1.7320     5.5678     1.0000     0.0000 
   C   5    1.7320     5.5678     1.0000     1.7320     0.0000 
   C   6    1.0000     4.5826     1.7320     1.0000     2.0000     0.0000 
   C   7    1.0000     4.5826     1.7320     2.0000     1.0000     1.7320 
   C   8    1.0000     3.0000     3.0000     2.6457     2.6457     1.7320 
   C   9    1.7320     2.6457     3.6055     3.4641     3.0000     2.6457 
   C  10    1.7320     2.6457     3.6055     3.0000     3.4641     2.0000 
   C  11    2.6457     1.7320     4.5826     4.3589     4.0000     3.4641 
   C  12    2.6457     1.7320     4.5826     4.0000     4.3589     3.0000 
   C  13    3.0000     1.0000     5.0000     4.5826     4.5826     3.6055 
   H  14    2.5069     6.4873     0.6201     1.0812     1.5968     2.0296 
   H  15    2.5069     6.4873     0.6200     1.5967     1.0813     2.3451 
   H  16    2.0295     5.5908     1.5968     0.6200     2.3451     1.0812 
   H  17    2.3451     6.1774     1.0813     0.6200     2.0295     1.5967 
   H  18    2.3451     6.1774     1.0812     2.0294     0.6200     2.5067 
   H  19    2.0295     5.5908     1.5968     2.3451     0.6200     2.5068 
   H  20    1.0813     4.0630     2.3451     1.5967     2.5068     0.6200 
   H  21    1.5968     4.8385     2.0295     1.0812     2.5068     0.6200 
   H  22    1.5968     4.8385     2.0295     2.5068     1.0812     2.3451 
   H  23    1.0812     4.0630     2.3451     2.5067     1.5967     2.0294 
   H  24    1.8396     3.1407     3.4849     3.5191     2.7431     2.8291 
   H  25    1.8397     3.1408     3.4849     2.7431     3.5192     1.7733 
   H  26    3.1407     1.8396     5.0104     4.8707     4.3433     4.0130 
   H  27    3.1408     1.8397     5.0104     4.3433     4.8708     3.3533 
   H  28    4.3433     0.6200     6.3328     5.9770     5.8193     5.0104 
   H  29    4.3433     0.6201     6.3328     5.8193     5.9770     4.8212 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    2.0000     1.0000     0.0000 
   C  10    2.6457     1.0000     1.7320     0.0000 
   C  11    3.0000     1.7320     1.0000     2.0000     0.0000 
   C  12    3.4641     1.7320     2.0000     1.0000     1.7320     0.0000 
   C  13    3.6055     2.0000     1.7320     1.7320     1.0000     1.0000 
   H  14    2.3452     3.4978     4.1713     4.0024     5.1332     4.9969 
   H  15    2.0296     3.4978     4.0024     4.1713     4.9969     5.1332 
   H  16    2.5068     2.8113     3.7220     2.9561     4.5429     3.9399 
   H  17    2.5068     3.2657     4.0761     3.5889     4.9779     4.5875 
   H  18    1.5967     3.2657     3.5889     4.0760     4.5875     4.9779 
   H  19    1.0812     2.8113     2.9561     3.7220     3.9399     4.5429 
   H  20    2.0295     1.4156     2.4059     1.4332     3.1022     2.4267 
   H  21    2.3451     2.1829     3.1512     2.1944     3.8917     3.1671 
   H  22    0.6200     2.1829     2.1944     3.1512     3.1671     3.8917 
   H  23    0.6200     1.4155     1.4332     2.4059     2.4267     3.1021 
   H  24    1.7732     1.4157     0.6200     2.2900     1.4158     2.6199 
   H  25    2.8292     1.4158     2.2901     0.6201     2.6200     1.4158 
   H  26    3.3533     2.2900     1.4158     2.6199     0.6200     2.2900 
   H  27    4.0130     2.2901     2.6200     1.4158     2.2901     0.6201 
   H  28    4.8212     3.3533     2.8292     3.1407     1.8397     2.2900 
   H  29    5.0104     3.3533     3.1408     2.8292     2.2901     1.8397 

              C  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   H  14    5.4895     0.0000 
   H  15    5.4895     0.7971     0.0000 
   H  16    4.6339     1.5278     2.1652     0.0000 
   H  17    5.1957     0.7847     1.5278     0.7971     0.0000 
   H  18    5.1957     1.5278     0.7847     2.6462     2.1561     0.0000 
   H  19    4.6339     2.1653     1.5279     2.9532     2.6463     0.7971 
   H  20    3.1102     2.6463     2.9532     1.5278     2.1652     3.0556 
   H  21    3.8982     2.1561     2.6463     0.7846     1.5278     2.9498 
   H  22    3.8982     2.6464     2.1562     3.0556     2.9499     1.5278 
   H  23    3.1102     2.9532     2.6463     2.9498     3.0556     2.1652 
   H  24    2.2900     4.0838     3.8001     3.8678     4.1067     3.2887 
   H  25    2.2901     3.8001     4.0838     2.5833     3.2887     4.1067 
   H  26    1.4157     5.5836     5.3796     5.0942     5.4857     4.9034 
   H  27    1.4158     5.3796     5.5836     4.2029     4.9034     5.4857 
   H  28    1.4158     6.8492     6.7864     6.0473     6.5934     6.4155 
   H  29    1.4158     6.7864     6.8492     5.7792     6.4155     6.5934 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    2.9499     0.0000 
   H  21    3.0556     0.7971     0.0000 
   H  22    0.7846     2.6463     2.9532     0.0000 
   H  23    1.5278     2.1561     2.6462     0.7971     0.0000 
   H  24    2.5834     2.7169     3.3946     1.7992     1.1541     0.0000 
   H  25    3.8679     1.1541     1.7992     3.3947     2.7169     2.8059 
   H  26    4.2029     3.6870     4.4690     3.4185     2.7467     1.6200 
   H  27    5.0943     2.7467     3.4185     4.4691     3.6870     3.2400 
   H  28    5.7792     4.5254     5.3139     5.0067     4.2619     3.2380 
   H  29    6.0474     4.2619     5.0067     5.3140     4.5254     3.6739 

              H  25      H  26      H  27      H  28      H  29
              -------------------------------------------------------
   H  25    0.0000 
   H  26    3.2400     0.0000 
   H  27    1.6200     2.8059     0.0000 
   H  28    3.6739     1.7320     2.4522     0.0000 
   H  29    3.2380     2.4522     1.7320     1.0739     0.0000 



ATOMIC CHARGES
   N   1   -0.3298855104
   N   2   -0.3579576409
   C   3   -0.0502185086
   C   4   -0.0371821375
   C   5   -0.0371821375
   C   6    0.0121837131
   C   7    0.0121837131
   C   8    0.0297891238
   C   9   -0.0389261869
   C  10   -0.0389261869
   C  11   -0.0393034293
   C  12   -0.0393034293
   C  13    0.0246520519
   H  14    0.0266254336
   H  15    0.0266254336
   H  16    0.0280347489
   H  17    0.0280347489
   H  18    0.0280347489
   H  19    0.0280347489
   H  20    0.0463586176
   H  21    0.0463586176
   H  22    0.0463586176
   H  23    0.0463586176
   H  24    0.0636576506
   H  25    0.0636576506
   H  26    0.0636457495
   H  27    0.0636457495
   H  28    0.1423227161
   H  29    0.1423227161


BOND ANGLES
   6    1    7   C3  Npl   C3    119.999
   6    1    8   C3  Npl  Car    120.001
   7    1    8   C3  Npl  Car    120.001
  13    2   28  Car  Npl   HC    120.002
  13    2   29  Car  Npl   HC    119.997
  28    2   29   HC  Npl   HC    120.001
   4    3    5   C3   C3   C3    119.999
   4    3   14   C3   C3   HC     79.999
   4    3   15   C3   C3   HC    159.996
   5    3   14   C3   C3   HC    160.003
   5    3   15   C3   C3   HC     80.006
  14    3   15   HC   C3   HC     79.997
   3    4    6   C3   C3   C3    120.001
   3    4   16   C3   C3   HC    160.002
   3    4   17   C3   C3   HC     80.004
   6    4   16   C3   C3   HC     79.997
   6    4   17   C3   C3   HC    159.996
  16    4   17   HC   C3   HC     79.999
   3    5    7   C3   C3   C3    120.001
   3    5   18   C3   C3   HC     79.995
   3    5   19   C3   C3   HC    160.002
   7    5   18   C3   C3   HC    160.004
   7    5   19   C3   C3   HC     79.997
  18    5   19   HC   C3   HC     80.007
   1    6    4  Npl   C3   C3    120.001
   1    6   20  Npl   C3   HC     80.004
   1    6   21  Npl   C3   HC    160.002
   4    6   20   C3   C3   HC    159.996
   4    6   21   C3   C3   HC     79.997
  20    6   21   HC   C3   HC     79.999
   1    7    5  Npl   C3   C3    120.001
   1    7   22  Npl   C3   HC    160.002
   1    7   23  Npl   C3   HC     79.995
   5    7   22   C3   C3   HC     79.997
   5    7   23   C3   C3   HC    160.004
  22    7   23   HC   C3   HC     80.007
   1    8    9  Npl  Car  Car    120.001
   1    8   10  Npl  Car  Car    120.001
   9    8   10  Car  Car  Car    119.999
   8    9   11  Car  Car  Car    120.001
   8    9   24  Car  Car   HC    119.998
  11    9   24  Car  Car   HC    120.002
   8   10   12  Car  Car  Car    120.001
   8   10   25  Car  Car   HC    120.002
  12   10   25  Car  Car   HC    119.997
   9   11   13  Car  Car  Car    120.001
   9   11   26  Car  Car   HC    120.002
  13   11   26  Car  Car   HC    119.998
  10   12   13  Car  Car  Car    120.001
  10   12   27  Car  Car   HC    119.997
  13   12   27  Car  Car   HC    120.002
   2   13   11  Npl  Car  Car    120.001
   2   13   12  Npl  Car  Car    120.001
  11   13   12  Car  Car  Car    119.999


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