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N-(2-Chlorobenzyl)-N-methylamine
N-(2-Chlorobenzyl)-N-methylamine ID: API-42888
CAS:932-32-1
Supplier:APIchem

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SMILES:Clc1c(CNC)cccc1	ChemMol.com
FORMULA: C8H10ClN
MASS: 155.6247
EXACT MASS: 155.0501770
INTERATOMIC DISTANCES

             Cl   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   N   2    3.0000     0.0000 
   C   3    2.0000     1.0001     0.0000 
   C   4    1.7320     1.7321     1.0000     0.0000 
   C   5    1.0000     2.6458     1.7320     1.0000     0.0000 
   C   6    2.6458     2.0000     1.7321     1.0001     1.7321     0.0000 
   C   7    1.7320     3.4641     2.6457     1.7320     1.0000     2.0000 
   C   8    3.0000     3.0000     2.6458     1.7321     2.0000     1.0000 
   C   9    2.6457     3.6056     3.0000     2.0000     1.7320     1.7321 
   C  10    3.6056     1.0000     1.7321     2.6458     3.4641     3.0000 
   H  11    2.1943     1.0813     0.6200     1.5967     2.1829     2.3451 
   H  12    1.4332     1.5968     0.6199     1.0812     1.4155     2.0295 
   H  13    3.1408     1.7732     1.8397     1.4158     2.2901     0.6200 
   H  14    3.3533     0.6200     1.4158     1.8397     2.8292     1.7732 
   H  15    1.8397     4.0130     3.1407     2.2900     1.4158     2.6200 
   H  16    3.6200     3.3533     3.1408     2.2901     2.6200     1.4158 
   H  17    3.1407     4.2101     3.6200     2.6200     2.2901     2.2901 
   H  18    4.0751     1.1766     2.1115     2.9083     3.8121     3.0634 
   H  19    4.0601     1.6200     2.2901     3.2380     4.0131     3.6200 
   H  20    3.1879     1.1766     1.5201     2.5121     3.1995     3.0634 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7321     0.0000 
   C   9    1.0000     1.0001     0.0000 
   C  10    4.3589     4.0000     4.5826     0.0000 
   H  11    3.1512     3.2657     3.5889     1.4156     0.0000 
   H  12    2.4059     2.8113     2.9560     2.1829     0.7971     0.0000 
   H  13    2.6200     1.4158     2.2901     2.7431     2.3980     2.2859 
   H  14    3.5192     2.7431     3.4849     1.4158     1.6620     2.0354 
   H  15    0.6200     2.2901     1.4157     4.8708     3.5955     2.8161 
   H  16    2.2901     0.6200     1.4158     4.3433     3.7574     3.3700 
   H  17    1.4158     1.4158     0.6200     5.1927     4.2079     3.5650 
   H  18    4.6403     4.0478     4.7390     0.6200     1.9301     2.6421 
   H  19    4.9340     4.6200     5.1927     0.6200     1.8777     2.6726 
   H  20    4.1517     4.0478     4.5067     0.6200     1.0254     1.8217 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    1.3800     0.0000 
   H  15    3.2400     4.1077     0.0000 
   H  16    1.6200     3.0000     2.8059     0.0000 
   H  17    2.8059     4.0601     1.6199     1.6200     0.0000 
   H  18    2.6913     1.3126     5.1887     4.3108     5.3313     0.0000 
   H  19    3.3533     2.0033     5.4271     4.9591     5.8050     0.8768 
   H  20    2.9282     1.7477     4.6147     4.4626     5.1259     1.2400 

              H  19      H  20
              ----------------------
   H  19    0.0000 
   H  20    0.8768     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0832169676
   N   2   -0.3149665190
   C   3    0.0223422674
   C   4   -0.0152992300
   C   5    0.0453627816
   C   6   -0.0559629167
   C   7   -0.0430811778
   C   8   -0.0613745117
   C   9   -0.0603630757
   C  10   -0.0154907424
   H  11    0.0473775007
   H  12    0.0473775007
   H  13    0.0621135029
   H  14    0.1219454331
   H  15    0.0632157844
   H  16    0.0617680107
   H  17    0.0618015597
   H  18    0.0388169332
   H  19    0.0388169332
   H  20    0.0388169332


BOND ANGLES
   3    2   10   C3   N3   C3    119.998
   3    2   14   C3   N3   HC    120.000
  10    2   14   C3   N3   HC    120.002
   2    3    4   N3   C3  Car    119.998
   2    3   11   N3   C3   HC     79.998
   2    3   12   N3   C3   HC    160.007
   4    3   11  Car   C3   HC    160.004
   4    3   12  Car   C3   HC     79.995
  11    3   12   HC   C3   HC     80.009
   3    4    5   C3  Car  Car    120.001
   3    4    6   C3  Car  Car    119.998
   5    4    6  Car  Car  Car    120.001
   1    5    4   Cl  Car  Car    119.999
   1    5    7   Cl  Car  Car    120.001
   4    5    7  Car  Car  Car    120.001
   4    6    8  Car  Car  Car    119.998
   4    6   13  Car  Car   HC    120.000
   8    6   13  Car  Car   HC    120.002
   5    7    9  Car  Car  Car    120.001
   5    7   15  Car  Car   HC    120.002
   9    7   15  Car  Car   HC    119.998
   6    8    9  Car  Car  Car    119.998
   6    8   16  Car  Car   HC    120.002
   9    8   16  Car  Car   HC    120.000
   7    9    8  Car  Car  Car    120.001
   7    9   17  Car  Car   HC    120.001
   8    9   17  Car  Car   HC    119.998
   2   10   18   N3   C3   HC     90.000
   2   10   19   N3   C3   HC    179.974
   2   10   20   N3   C3   HC     90.000
  18   10   19   HC   C3   HC     90.000
  18   10   20   HC   C3   HC    179.974
  19   10   20   HC   C3   HC     90.000


TORSION ANGLES
  10    2    3    4    179.974
  10    2    3   11      0.026
  10    2    3   12      0.026
  14    2    3    4      0.026
  14    2    3   11    179.974
  14    2    3   12    179.974
   3    2   10   18    179.974
   3    2   10   19    180.000
   3    2   10   20      0.026
  14    2   10   18      0.026
  14    2   10   19    180.000
  14    2   10   20    179.974
   2    3    4    5    179.974
   2    3    4    6      0.026
  11    3    4    5      0.026
  11    3    4    6    179.974
  12    3    4    5      0.026
  12    3    4    6    179.974
   3    4    5    1      0.026
   3    4    5    7    179.974
   6    4    5    1    179.974
   6    4    5    7      0.026
   3    4    6    8    179.974
   3    4    6   13      0.026
   5    4    6    8      0.026
   5    4    6   13    179.974
   1    5    7    9    179.974
   1    5    7   15      0.026
   4    5    7    9      0.026
   4    5    7   15    179.974
   4    6    8    9      0.026
   4    6    8   16    179.974
  13    6    8    9    179.974
  13    6    8   16      0.026
   5    7    9    8      0.026
   5    7    9   17    179.974
  15    7    9    8    179.974
  15    7    9   17      0.026
   6    8    9    7      0.026
   6    8    9   17    179.974
  16    8    9    7    179.974
  16    8    9   17      0.026