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2-Methyl-N-methylbenzylamine
2-Methyl-N-methylbenzylamine ID: API-42706
CAS:874-33-9
Supplier:APIchem

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SMILES:N(Cc1c(cccc1)C)C	ChemMol.com
FORMULA: C9H13N
MASS: 135.2062
EXACT MASS: 135.1047994
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.7321     0.0000 
   C   3    1.0001     1.0000     0.0000 
   C   4    2.6458     1.0000     1.7320     0.0000 
   C   5    2.0000     1.0001     1.7321     1.7321     0.0000 
   C   6    3.4641     1.7320     2.6457     1.0000     2.0000     0.0000 
   C   7    3.0000     1.7320     2.0000     1.0000     2.6458     1.7320 
   C   8    3.0000     1.7321     2.6458     2.0000     1.0000     1.7321 
   C   9    3.6056     2.0000     3.0000     1.7320     1.7321     1.0000 
   C  10    1.0000     2.6458     1.7321     3.4641     3.0000     4.3589 
   H  11    1.0813     1.5967     0.6200     2.1829     2.3451     3.1512 
   H  12    1.5968     1.0812     0.6199     1.4155     2.0295     2.4059 
   H  13    1.7732     1.4158     1.8397     2.2901     0.6200     2.6200 
   H  14    4.0130     2.2900     3.1407     1.4158     2.6200     0.6200 
   H  15    0.6200     1.8397     1.4158     2.8292     1.7732     3.5192 
   H  16    2.4825     1.5200     1.4955     1.1766     2.5121     2.1114 
   H  17    3.3533     2.2900     2.3715     1.6199     3.2380     2.2900 
   H  18    3.5505     2.1114     2.5557     1.1766     2.9083     1.5200 
   H  19    3.3533     2.2901     3.1408     2.6200     1.4158     2.2901 
   H  20    4.2101     2.6200     3.6200     2.2901     2.2901     1.4158 
   H  21    1.1766     2.9083     2.1115     3.8121     3.0634     4.6403 
   H  22    1.6200     3.2380     2.2901     4.0131     3.6200     4.9340 
   H  23    1.1766     2.5121     1.5201     3.1995     3.0634     4.1517 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.0000     0.0000 
   C   9    2.6457     1.0001     0.0000 
   C  10    3.6056     4.0000     4.5826     0.0000 
   H  11    2.1943     3.2657     3.5889     1.4156     0.0000 
   H  12    1.4332     2.8113     2.9560     2.1829     0.7971     0.0000 
   H  13    3.1408     1.4158     2.2901     2.7431     2.3980     2.2859 
   H  14    1.8397     2.2901     1.4157     4.8708     3.5955     2.8161 
   H  15    3.3533     2.7431     3.4849     1.4158     1.6620     2.0354 
   H  16    0.6200     3.0634     2.9083     3.0148     1.5992     0.8859 
   H  17    0.6200     3.6200     3.2379     3.8242     2.4187     1.7577 
   H  18    0.6200     3.0634     2.5121     4.2047     2.8002     2.0228 
   H  19    3.6200     0.6200     1.4158     4.3433     3.7574     3.3700 
   H  20    3.1407     1.4158     0.6200     5.1927     4.2079     3.5650 
   H  21    4.0751     4.0478     4.7390     0.6200     1.9301     2.6421 
   H  22    4.0601     4.6200     5.1927     0.6200     1.8777     2.6726 
   H  23    3.1879     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    3.2400     0.0000 
   H  15    1.3800     4.1077     0.0000 
   H  16    2.9170     2.3470     2.8995     0.0000 
   H  17    3.7058     2.2901     3.7759     0.8768     0.0000 
   H  18    3.4624     1.4245     3.8536     1.2399     0.8768     0.0000 
   H  19    1.6200     2.8059     3.0000     3.6727     4.2400     3.6727 
   H  20    2.8059     1.6199     4.0601     3.4624     3.7058     2.9170 
   H  21    2.6913     5.1887     1.3126     3.5087     4.3470     4.6551 
   H  22    3.3533     5.4271     2.0033     3.4508     4.2100     4.6723 
   H  23    2.9282     4.6147     1.7477     2.5761     3.3349     3.8024 

              H  19      H  20      H  21      H  22      H  23
              -------------------------------------------------------
   H  19    0.0000 
   H  20    1.6200     0.0000 
   H  21    4.3108     5.3313     0.0000 
   H  22    4.9591     5.8050     0.8768     0.0000 
   H  23    4.4626     5.1259     1.2400     0.8768     0.0000 



ATOMIC CHARGES
   N   1   -0.3150035820
   C   2   -0.0306830131
   C   3    0.0212094936
   C   4   -0.0460511183
   C   5   -0.0571001120
   C   6   -0.0585389631
   C   7   -0.0394098075
   C   8   -0.0614443053
   C   9   -0.0614925118
   C  10   -0.0154912590
   H  11    0.0473410800
   H  12    0.0473410800
   H  13    0.0620781534
   H  14    0.0620288648
   H  15    0.1219449352
   H  16    0.0277621879
   H  17    0.0277621879
   H  18    0.0277621879
   H  19    0.0617671622
   H  20    0.0617665454
   H  21    0.0388169312
   H  22    0.0388169312
   H  23    0.0388169312


BOND ANGLES
   3    1   10   C3   N3   C3    119.998
   3    1   15   C3   N3   HC    120.000
  10    1   15   C3   N3   HC    120.002
   3    2    4   C3  Car  Car    120.001
   3    2    5   C3  Car  Car    119.998
   4    2    5  Car  Car  Car    120.001
   1    3    2   N3   C3  Car    119.998
   1    3   11   N3   C3   HC     79.998
   1    3   12   N3   C3   HC    160.007
   2    3   11  Car   C3   HC    160.004
   2    3   12  Car   C3   HC     79.995
  11    3   12   HC   C3   HC     80.009
   2    4    6  Car  Car  Car    120.001
   2    4    7  Car  Car   C3    119.999
   6    4    7  Car  Car   C3    120.001
   2    5    8  Car  Car  Car    119.998
   2    5   13  Car  Car   HC    120.000
   8    5   13  Car  Car   HC    120.002
   4    6    9  Car  Car  Car    120.001
   4    6   14  Car  Car   HC    120.002
   9    6   14  Car  Car   HC    119.998
   4    7   16  Car   C3   HC     89.999
   4    7   17  Car   C3   HC    179.974
   4    7   18  Car   C3   HC     90.001
  16    7   17   HC   C3   HC     90.000
  16    7   18   HC   C3   HC    179.974
  17    7   18   HC   C3   HC     90.000
   5    8    9  Car  Car  Car    119.998
   5    8   19  Car  Car   HC    120.002
   9    8   19  Car  Car   HC    120.000
   6    9    8  Car  Car  Car    120.001
   6    9   20  Car  Car   HC    120.001
   8    9   20  Car  Car   HC    119.998
   1   10   21   N3   C3   HC     90.000
   1   10   22   N3   C3   HC    179.974
   1   10   23   N3   C3   HC     90.000
  21   10   22   HC   C3   HC     90.000
  21   10   23   HC   C3   HC    179.974
  22   10   23   HC   C3   HC     90.000


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