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Ethyl 6-(aminomethyl)pyridine-2-carboxylate
Ethyl 6-(aminomethyl)pyridine-2-carboxylate ID: API-28744
CAS:104086-21-7
Supplier:APIchem

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SMILES:CCOC(=O)c1nc(CN)ccc1	ChemMol.com
FORMULA: C9H12N2O2
MASS: 180.2038
EXACT MASS: 180.0898776
INTERATOMIC DISTANCES

              C   1      C   2      O   3      C   4      O   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8250     0.0000 
   O   3    1.4290     0.8250     0.0000 
   C   4    2.1828     1.4290     0.8250     0.0000 
   O   5    2.4750     1.6500     1.4289     0.8249     0.0000 
   C   6    2.8579     2.1828     1.4290     0.8250     1.4289     0.0000 
   N   7    3.5961     2.8579     2.1827     1.4289     1.6500     0.8249 
   C   8    4.2868     3.5961     2.8579     2.1827     2.4750     1.4289 
   C   9    5.0183     4.2868     3.5961     2.8579     2.9746     2.1827 
   N  10    5.1522     4.3655     3.7806     2.9746     2.8579     2.4750 
   C  11    4.3655     3.7806     2.9746     2.4750     2.9746     1.6500 
   C  12    3.7806     3.3000     2.4750     2.1828     2.8579     1.4290 
   C  13    2.9746     2.4750     1.6500     1.4290     2.1827     0.8250 

              N   7      C   8      C   9      N  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   C   8    0.8250     0.0000 
   C   9    1.4290     0.8250     0.0000 
   N  10    1.6501     1.4290     0.8250     0.0000 
   C  11    1.4289     0.8249     1.4289     2.1827     0.0000 
   C  12    1.6500     1.4289     2.1827     2.8579     0.8250     0.0000 
   C  13    1.4289     1.6500     2.4750     2.9746     1.4290     0.8250 

              C  13
              -----------
   C  13    0.0000 



ATOMIC CHARGES
   C   1    0.0512826816
   C   2    0.2089438261
   O   3   -0.4443942071
   C   4    0.3591196368
   O   5   -0.2431868029
   C   6    0.1563031121
   N   7   -0.2416532830
   C   8    0.0784096377
   C   9    0.1546965910
   N  10   -0.1245115532
   C  11    0.0162483634
   C  12    0.0030160377
   C  13    0.0257259597


BOND ANGLES
   1    2    3   C3   C3   O3    119.999
   2    3    4   C3   O3   C2    119.999
   3    4    5   O3   C2   O2    119.999
   3    4    6   O3   C2  Car    119.999
   5    4    6   O2   C2  Car    120.002
   4    6    7   C2  Car  Nar    120.002
   4    6   13   C2  Car  Car    119.999
   7    6   13  Nar  Car  Car    119.999
   6    7    8  Car  Nar  Car    120.002
   7    8    9  Nar  Car   C3    119.999
   7    8   11  Nar  Car  Car    120.002
   9    8   11   C3  Car  Car    119.999
   8    9   10  Car   C3   N3    120.002
   8   11   12  Car  Car  Car    119.999
  11   12   13  Car  Car  Car    119.999
   6   13   12  Car  Car  Car    119.999


TORSION ANGLES
   1    2    3    4    179.974
   2    3    4    5      0.026
   2    3    4    6    179.974
   3    4    6    7    179.974
   3    4    6   13      0.026
   5    4    6    7      0.026
   5    4    6   13    179.974
   4    6    7    8    179.974
  13    6    7    8      0.026
   6    7    8    9    179.974
   6    7    8   11      0.026
   7    8    9   10      0.026
  11    8    9   10    179.974
   7    8   11   12      0.026
   9    8   11   12    179.974
   8   11   12   13      0.026
  11   12   13    6      0.026
   4    6   13   12    179.974
   7    6   13   12      0.026