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N-methyl-2-(2-pyridyl)ethanamine
N-methyl-2-(2-pyridyl)ethanamine ID: AN-19135
CAS:5638-76-6
Supplier:AN PharmaTech Co Ltd

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SMILES:N(CCc1ncccc1)C	2366
FORMULA: C8H12N2
MASS: 136.1943
EXACT MASS: 136.1000484
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    3.4641     0.0000 
   C   3    1.7321     1.7320     0.0000 
   C   4    1.0000     2.6458     1.0001     0.0000 
   C   5    2.6458     1.0000     1.0000     1.7321     0.0000 
   C   6    3.0000     1.7320     1.7320     2.0000     1.0000     0.0000 
   C   7    1.0000     4.3589     2.6458     1.7320     3.4641     3.6055 
   C   8    4.0000     2.0000     2.6457     3.0000     1.7320     1.0000 
   C   9    4.3590     1.0001     2.6458     3.4642     1.7321     2.0000 
   C  10    4.5826     1.7321     3.0000     3.6056     2.0000     1.7321 
   H  11    1.4157     2.1828     0.6200     1.0813     1.5967     2.3451 
   H  12    2.1829     1.4156     0.6200     1.5968     1.0813     2.0296 
   H  13    1.5968     2.4059     1.0812     0.6200     1.4155     1.4332 
   H  14    1.0812     3.1512     1.5968     0.6199     2.1829     2.1944 
   H  15    0.6200     3.5191     1.8397     1.4158     2.8292     3.3533 
   H  16    2.7431     2.2900     1.8397     1.7733     1.4158     0.6200 
   H  17    1.1766     4.1517     2.5121     1.5200     3.1995     3.1879 
   H  18    1.6199     4.9339     3.2380     2.2900     4.0130     4.0601 
   H  19    1.1766     4.6402     2.9083     2.1114     3.8121     4.0750 
   H  20    4.3433     2.6200     3.1407     3.3533     2.2901     1.4158 
   H  21    4.8708     1.4158     3.1408     4.0131     2.2901     2.6200 
   H  22    5.1928     2.2901     3.6200     4.2101     2.6200     2.2901 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    4.5826     0.0000 
   C   9    5.1962     1.7321     0.0000 
   C  10    5.2915     1.0001     1.0000     0.0000 
   H  11    2.4060     3.2657     3.1512     3.5889     0.0000 
   H  12    3.1512     2.8114     2.4060     2.9562     0.7970     0.0000 
   H  13    2.1829     2.4267     3.1022     3.1102     1.4515     1.6888 
   H  14    1.4155     3.1671     3.8918     3.8982     1.6889     2.2064 
   H  15    1.4158     4.3433     4.4727     4.8213     1.3415     2.1355 
   H  16    3.2070     1.4157     2.6200     2.2901     2.3980     2.2861 
   H  17    0.6200     4.1339     4.9156     4.9081     2.4200     3.0828 
   H  18    0.6200     5.0104     5.7415     5.7745     3.0232     3.7599 
   H  19    0.6200     5.0675     5.5323     5.7167     2.5476     3.3355 
   H  20    4.8212     0.6200     2.2901     1.4158     3.7574     3.3701 
   H  21    5.7415     2.2901     0.6200     1.4158     3.5955     2.8161 
   H  22    5.8809     1.4158     1.4158     0.6200     4.2080     3.5651 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.7971     0.0000 
   H  15    2.0354     1.6620     0.0000 
   H  16    1.1541     1.7992     3.1864     0.0000 
   H  17    1.8217     1.0254     1.7477     2.7290     0.0000 
   H  18    2.6726     1.8777     2.0033     3.6055     0.8768     0.0000 
   H  19    2.6420     1.9300     1.3126     3.7270     1.2399     0.8768 
   H  20    2.7467     3.4185     4.7432     1.6199     4.3206     5.1927 
   H  21    3.6870     4.4691     4.9340     3.2400     5.4888     6.3006 
   H  22    3.6980     4.4782     5.4400     2.8059     5.4779     6.3492 

              H  19      H  20      H  21      H  22
              --------------------------------------------
   H  19    0.0000 
   H  20    5.3469     0.0000 
   H  21    6.0474     2.8059     0.0000 
   H  22    6.3190     1.6200     1.6200     0.0000 



ATOMIC CHARGES
   N   1   -0.3186143881
   N   2   -0.2598420488
   C   3    0.0021369174
   C   4    0.0010157912
   C   5    0.0424794362
   C   6   -0.0403491830
   C   7   -0.0157772518
   C   8   -0.0586350963
   C   9    0.0278647058
   C  10   -0.0435765517
   H  11    0.0340555465
   H  12    0.0340555465
   H  13    0.0427537594
   H  14    0.0427537594
   H  15    0.1216444236
   H  16    0.0635434061
   H  17    0.0388080045
   H  18    0.0388080045
   H  19    0.0388080045
   H  20    0.0618584174
   H  21    0.0829435862
   H  22    0.0632652104


BOND ANGLES
   4    1    7   C3   N3   C3    119.999
   4    1   15   C3   N3   HC    120.001
   7    1   15   C3   N3   HC    120.001
   5    2    9  Car  Nar  Car    120.001
   4    3    5   C3   C3  Car    120.001
   4    3   11   C3   C3   HC     80.003
   4    3   12   C3   C3   HC    159.993
   5    3   11  Car   C3   HC    159.996
   5    3   12  Car   C3   HC     80.006
  11    3   12   HC   C3   HC     79.990
   1    4    3   N3   C3   C3    120.001
   1    4   13   N3   C3   HC    160.009
   1    4   14   N3   C3   HC     80.000
   3    4   13   C3   C3   HC     79.990
   3    4   14   C3   C3   HC    159.999
  13    4   14   HC   C3   HC     80.009
   2    5    3  Nar  Car   C3    119.999
   2    5    6  Nar  Car  Car    120.001
   3    5    6   C3  Car  Car    120.001
   5    6    8  Car  Car  Car    120.001
   5    6   16  Car  Car   HC    120.002
   8    6   16  Car  Car   HC    119.998
   1    7   17   N3   C3   HC     89.999
   1    7   18   N3   C3   HC    179.974
   1    7   19   N3   C3   HC     90.001
  17    7   18   HC   C3   HC     90.000
  17    7   19   HC   C3   HC    179.974
  18    7   19   HC   C3   HC     90.000
   6    8   10  Car  Car  Car    120.001
   6    8   20  Car  Car   HC    120.001
  10    8   20  Car  Car   HC    119.998
   2    9   10  Nar  Car  Car    119.998
   2    9   21  Nar  Car   HC    120.000
  10    9   21  Car  Car   HC    120.002
   8   10    9  Car  Car  Car    119.998
   8   10   22  Car  Car   HC    120.000
   9   10   22  Car  Car   HC    120.002


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