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1-(3-pyridyl)ethanamine
1-(3-pyridyl)ethanamine ID: AN-9175
CAS:56129-55-6
Supplier:AN PharmaTech Co Ltd

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SMILES:NC(c1cccnc1)C	2771688
FORMULA: C7H10N2
MASS: 122.1677
EXACT MASS: 122.0843983
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    3.0000     0.0000 
   C   3    1.0000     2.6457     0.0000 
   C   4    1.7320     1.7320     1.0000     0.0000 
   C   5    1.7320     3.4641     1.0000     1.7320     0.0000 
   C   6    2.6457     2.0000     1.7320     1.0000     2.0000     0.0000 
   C   7    2.0000     1.0000     1.7320     1.0000     2.6457     1.7320 
   C   8    3.4641     1.7320     2.6457     1.7320     3.0000     1.0000 
   C   9    3.6055     1.0000     3.0000     2.0000     3.6055     1.7320 
   H  10    0.8743     2.2146     0.6201     0.8743     1.6200     1.8397 
   H  11    1.5200     3.8121     1.1766     2.1114     0.6200     2.5558 
   H  12    2.2900     4.0130     1.6199     2.2900     0.6200     2.3716 
   H  13    2.1114     3.1995     1.1766     1.5200     0.6200     1.4956 
   H  14    2.8291     2.6199     1.8396     1.4157     1.7732     0.6200 
   H  15    1.7733     1.4158     1.8397     1.4158     2.8292     2.2901 
   H  16    0.6200     3.6200     1.4158     2.2901     1.8396     3.1407 
   H  17    0.6201     2.7431     1.4158     1.8397     2.2901     2.8292 
   H  18    4.0130     2.2900     3.1407     2.2900     3.3533     1.4158 
   H  19    4.2100     1.4158     3.6200     2.6200     4.2100     2.2901 

              C   7      C   8      C   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.0000     0.0000 
   C   9    1.7320     1.0000     0.0000 
   H  10    1.2346     2.6009     2.7431     0.0000 
   H  11    2.9083     3.5505     4.0750     1.7346     0.0000 
   H  12    3.2379     3.3533     4.0601     2.2400     0.8768     0.0000 
   H  13    2.5121     2.4825     3.1879     1.7346     1.2399     0.8768 
   H  14    2.2900     1.4158     2.2900     2.1302     2.3825     2.0000 
   H  15    0.6201     2.6200     2.2901     1.2346     2.9659     3.4457 
   H  16    2.6200     4.0130     4.2100     1.4674     1.4244     2.2900 
   H  17    1.7733     3.5192     3.4849     1.0000     2.1342     2.8736 
   H  18    2.6199     0.6200     1.4157     3.1644     3.9390     3.6200 
   H  19    2.2901     1.4158     0.6200     3.3533     4.6900     4.6468 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    1.1752     0.0000 
   H  15    2.8250     2.8059     0.0000 
   H  16    2.3470     3.2379     2.3716     0.0000 
   H  17    2.5890     3.1269     1.3800     1.0739     0.0000 
   H  18    2.7824     1.6200     3.2400     4.5379     4.1077     0.0000 
   H  19    3.7712     2.8059     2.8059     4.8185     4.0601     1.6199 

              H  19
              -----------
   H  19    0.0000 



ATOMIC CHARGES
   N   1   -0.3237443431
   N   2   -0.2629375306
   C   3    0.0289260741
   C   4   -0.0128789353
   C   5   -0.0456946282
   C   6   -0.0542268448
   C   7    0.0321981097
   C   8   -0.0432887213
   C   9    0.0275707399
   H  10    0.0505527147
   H  11    0.0247853176
   H  12    0.0247853176
   H  13    0.0247853176
   H  14    0.0621708576
   H  15    0.0832630869
   H  16    0.1187630377
   H  17    0.1187630377
   H  18    0.0632739480
   H  19    0.0829334443


BOND ANGLES
   3    1   16   C3   N3   HC    120.001
   3    1   17   C3   N3   HC    120.002
  16    1   17   HC   N3   HC    119.997
   7    2    9  Car  Nar  Car    120.001
   1    3    4   N3   C3  Car    120.001
   1    3    5   N3   C3   C3    119.999
   1    3   10   N3   C3   HC     59.998
   4    3    5  Car   C3   C3    120.001
   4    3   10  Car   C3   HC     60.003
   5    3   10   C3   C3   HC    179.974
   3    4    6   C3  Car  Car    120.001
   3    4    7   C3  Car  Car    120.001
   6    4    7  Car  Car  Car    119.999
   3    5   11   C3   C3   HC     89.999
   3    5   12   C3   C3   HC    179.974
   3    5   13   C3   C3   HC     90.001
  11    5   12   HC   C3   HC     90.000
  11    5   13   HC   C3   HC    179.974
  12    5   13   HC   C3   HC     90.000
   4    6    8  Car  Car  Car    120.001
   4    6   14  Car  Car   HC    119.998
   8    6   14  Car  Car   HC    120.002
   2    7    4  Nar  Car  Car    120.001
   2    7   15  Nar  Car   HC    119.997
   4    7   15  Car  Car   HC    120.002
   6    8    9  Car  Car  Car    120.001
   6    8   18  Car  Car   HC    120.002
   9    8   18  Car  Car   HC    119.998
   2    9    8  Nar  Car  Car    119.999
   2    9   19  Nar  Car   HC    120.001
   8    9   19  Car  Car   HC    120.001


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


CHIRAL ATOMS
  18    8    9   19      0.026