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(4-Chloropheny)phenylmethylamine Hydrochloride
(4-Chloropheny)phenylmethylamine Hydrochloride ID: API-9476
CAS:5267-39-0
Supplier:APIchem

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SMILES:Clc1ccc(C(N)c2ccccc2)cc1	ChemMol.com
FORMULA: C13H12ClN
MASS: 217.6941
EXACT MASS: 217.0658271
INTERATOMIC DISTANCES

             Cl   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   N   2    4.5826     0.0000 
   C   3    4.0000     1.0001     0.0000 
   C   4    3.0000     1.7321     1.0000     0.0000 
   C   5    4.5826     1.7321     1.0000     1.7320     0.0000 
   C   6    2.6458     2.0000     1.7321     1.0001     2.6458     0.0000 
   C   7    2.6457     2.6458     1.7320     1.0000     2.0000     1.7321 
   C   8    4.3589     2.6458     1.7320     2.0000     1.0000     3.0000 
   C   9    5.5678     2.0000     1.7320     2.6457     1.0000     3.4641 
   C  10    1.7321     3.0000     2.6458     1.7321     3.4641     1.0000 
   C  11    1.7320     3.4641     2.6457     1.7320     3.0000     2.0000 
   C  12    5.1961     3.4641     2.6457     2.9999     1.7320     4.0000 
   C  13    6.2450     3.0000     2.6457     3.4641     1.7320     4.3589 
   C  14    1.0000     3.6056     3.0000     2.0000     3.6055     1.7321 
   C  15    6.0827     3.6055     2.9999     3.6055     2.0000     4.5826 
   H  16    4.6200     0.8744     0.6200     1.6200     0.8743     2.2901 
   H  17    3.1408     1.7732     1.8397     1.4158     2.8292     0.6200 
   H  18    3.1407     2.8292     1.8396     1.4157     1.7732     2.2901 
   H  19    3.7979     2.8292     1.8396     1.7732     1.4158     2.7431 
   H  20    5.8193     1.7732     1.8397     2.8292     1.4158     3.5191 
   H  21    5.1927     0.6200     1.4158     2.2901     1.8397     2.6200 
   H  22    4.4187     0.6200     1.4158     1.8397     2.2901     1.7732 
   H  23    1.8397     3.3533     3.1408     2.2901     4.0130     1.4158 
   H  24    1.8396     4.0130     3.1407     2.2900     3.3533     2.6200 
   H  25    5.2330     4.0131     3.1408     3.3533     2.2901     4.3434 
   H  26    6.8428     3.3533     3.1407     4.0130     2.2901     4.8708 
   H  27    6.6018     4.2101     3.6200     4.2100     2.6200     5.1928 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    3.0000     1.7320     0.0000 
   C  10    2.0000     3.6056     4.3589     0.0000 
   C  11    1.0000     2.6457     4.0000     1.7321     0.0000 
   C  12    2.6457     1.0000     2.0000     4.5826     3.4641     0.0000 
   C  13    3.6055     2.0000     1.0000     5.1962     4.5826     1.7320 
   C  14    1.7320     3.4641     4.5826     1.0001     1.0000     4.3589 
   C  15    3.4641     1.7320     1.7320     5.2915     4.3589     1.0000 
   H  16    2.2901     1.8396     1.2346     3.2380     3.2380     2.6008 
   H  17    2.2901     3.3533     3.5192     1.4158     2.6200     4.3433 
   H  18    0.6200     1.2347     2.7431     2.6200     1.4158     2.0699 
   H  19    1.2346     0.6200     2.2901     3.2069     2.0699     1.4158 
   H  20    3.3533     2.2901     0.6201     4.4726     4.3433     2.6200 
   H  21    3.1408     2.8292     1.7733     3.6200     4.0131     3.5191 
   H  22    2.8292     3.1408     2.6200     2.7431     3.5192     4.0130 
   H  23    2.6200     4.2100     4.8708     0.6200     2.2901     5.1927 
   H  24    1.4158     2.8292     4.3433     2.2901     0.6200     3.5191 
   H  25    2.8292     1.4158     2.6200     4.8213     3.5192     0.6201 
   H  26    4.2100     2.6200     1.4158     5.7415     5.1927     2.2901 
   H  27    4.0130     2.2901     2.2901     5.8809     4.8708     1.4158 

              C  13      C  14      C  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    5.2915     0.0000 
   C  15    1.0000     5.1961     0.0000 
   H  16    2.2145     3.6200     2.7430     0.0000 
   H  17    4.4726     2.2901     4.8212     2.2901     0.0000 
   H  18    3.2069     2.2900     2.9435     2.2900     2.8059     0.0000 
   H  19    2.6200     2.9435     2.2901     2.1301     3.1864     0.6582 
   H  20    1.4158     4.8212     2.2901     1.2346     3.4641     3.1864 
   H  21    2.7431     4.2101     3.4849     1.0001     2.3716     3.2380 
   H  22    3.6200     3.4849     4.2100     1.4674     1.3800     3.1269 
   H  23    5.7415     1.4158     5.8808     3.7058     1.6200     3.2400 
   H  24    4.8212     1.4157     4.4726     3.7058     3.2400     1.6200 
   H  25    2.2901     4.4726     1.4158     3.1644     4.7432     2.2146 
   H  26    0.6200     5.8808     1.4158     2.6457     4.9340     3.8242 
   H  27    1.4158     5.7415     0.6201     3.3533     5.4400     3.4641 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    2.8059     0.0000 
   H  21    3.1269     1.3800     0.0000 
   H  22    3.2380     2.3715     1.0739     0.0000 
   H  23    3.8242     4.9340     3.9665     3.0000     0.0000 
   H  24    2.2146     4.7432     4.5380     4.1077     2.8059     0.0000 
   H  25    1.6200     3.2401     4.1078     4.5380     5.4400     3.4641 
   H  26    3.2400     1.6200     3.0000     3.9665     6.2700     5.4400 
   H  27    2.8059     2.8060     4.0602     4.8185     6.4759     4.9340 

              H  25      H  26      H  27
              ---------------------------------
   H  25    0.0000 
   H  26    2.8059     0.0000 
   H  27    1.6200     1.6200     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0835412660
   N   2   -0.3199782340
   C   3    0.0559731523
   C   4   -0.0261972206
   C   5   -0.0262829255
   C   6   -0.0553892986
   C   7   -0.0553892986
   C   8   -0.0567664384
   C   9   -0.0567664384
   C  10   -0.0430717962
   C  11   -0.0430717962
   C  12   -0.0614419827
   C  13   -0.0614419827
   C  14    0.0409943551
   C  15   -0.0617402049
   H  16    0.0558071457
   H  17    0.0621319304
   H  18    0.0621319304
   H  19    0.0620886748
   H  20    0.0620886748
   H  21    0.1190694108
   H  22    0.1190694108
   H  23    0.0632157293
   H  24    0.0632157293
   H  25    0.0617671887
   H  26    0.0617671887
   H  27    0.0617583614


BOND ANGLES
   3    2   21   C3   N3   HC    119.998
   3    2   22   C3   N3   HC    120.000
  21    2   22   HC   N3   HC    120.002
   2    3    4   N3   C3  Car    119.998
   2    3    5   N3   C3  Car    120.001
   2    3   16   N3   C3   HC     60.002
   4    3    5  Car   C3  Car    120.001
   4    3   16  Car   C3   HC    179.974
   5    3   16  Car   C3   HC     59.999
   3    4    6   C3  Car  Car    119.998
   3    4    7   C3  Car  Car    120.001
   6    4    7  Car  Car  Car    120.001
   3    5    8   C3  Car  Car    119.999
   3    5    9   C3  Car  Car    120.001
   8    5    9  Car  Car  Car    120.001
   4    6   10  Car  Car  Car    119.998
   4    6   17  Car  Car   HC    120.000
  10    6   17  Car  Car   HC    120.002
   4    7   11  Car  Car  Car    120.001
   4    7   18  Car  Car   HC    119.998
  11    7   18  Car  Car   HC    120.002
   5    8   12  Car  Car  Car    119.999
   5    8   19  Car  Car   HC    120.001
  12    8   19  Car  Car   HC    120.001
   5    9   13  Car  Car  Car    120.001
   5    9   20  Car  Car   HC    119.997
  13    9   20  Car  Car   HC    120.002
   6   10   14  Car  Car  Car    119.998
   6   10   23  Car  Car   HC    120.002
  14   10   23  Car  Car   HC    120.000
   7   11   14  Car  Car  Car    120.001
   7   11   24  Car  Car   HC    120.002
  14   11   24  Car  Car   HC    119.998
   8   12   15  Car  Car  Car    120.001
   8   12   25  Car  Car   HC    120.002
  15   12   25  Car  Car   HC    119.997
   9   13   15  Car  Car  Car    119.999
   9   13   26  Car  Car   HC    120.001
  15   13   26  Car  Car   HC    120.001
   1   14   10   Cl  Car  Car    119.998
   1   14   11   Cl  Car  Car    120.001
  10   14   11  Car  Car  Car    120.001
  12   15   13  Car  Car  Car    120.001
  12   15   27  Car  Car   HC    119.997
  13   15   27  Car  Car   HC    120.002


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


CHIRAL ATOMS
  26   13   15   27      0.026