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5-Aminonicotinic acid
5-Aminonicotinic acid ID: API-9460
CAS:24242-19-1
Supplier:APIchem

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SMILES:OC(=O)c1cc(N)cnc1	ChemMol.com
FORMULA: C6H6N2O2
MASS: 138.1240
EXACT MASS: 138.0429274
INTERATOMIC DISTANCES

              O   1      O   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    1.7320     0.0000 
   N   3    3.0000     3.4641     0.0000 
   N   4    4.3589     3.6056     2.6458     0.0000 
   C   5    1.7320     1.7320     1.7320     2.6458     0.0000 
   C   6    2.6457     2.0000     2.0000     1.7321     1.0000     0.0000 
   C   7    3.4641     3.0000     1.7320     1.0001     1.7320     1.0000 
   C   8    2.0000     2.6457     1.0000     3.0000     1.0000     1.7320 
   C   9    3.6055     3.6055     1.0000     1.7321     2.0000     1.7320 
   C  10    1.0000     1.0000     2.6457     3.4641     1.0000     1.7320 
   H  11    2.8292     1.7733     2.6200     1.8397     1.4158     0.6201 
   H  12    1.7733     2.8292     1.4158     3.6201     1.4158     2.2901 
   H  13    4.2100     4.2100     1.4158     1.8397     2.6200     2.2901 
   H  14    4.8708     4.2101     2.8292     0.6200     3.1408     2.2901 
   H  15    4.4726     3.4849     3.1408     0.6200     2.8292     1.8397 
   H  16    0.6200     1.8396     3.6200     4.8708     2.2901     3.1407 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.0000     0.0000 
   C   9    1.0000     1.7320     0.0000 
   C  10    2.6457     1.7320     3.0000     0.0000 
   H  11    1.4158     2.2901     2.2901     1.8397     0.0000 
   H  12    2.6200     0.6201     2.2901     1.8397     2.8060     0.0000 
   H  13    1.4158     2.2901     0.6200     3.6200     2.8059     2.8059 
   H  14    1.4158     3.3533     1.8397     4.0131     2.4522     3.9666 
   H  15    1.4158     3.3533     2.2901     3.5192     1.7320     3.9666 
   H  16    4.0130     2.6200     4.2100     1.4158     3.2380     2.3716 

              H  13      H  14      H  15      H  16
              --------------------------------------------
   H  13    0.0000 
   H  14    1.7321     0.0000 
   H  15    2.4522     1.0739     0.0000 
   H  16    4.8185     5.4053     4.9340     0.0000 



ATOMIC CHARGES
   O   1   -0.4770903873
   O   2   -0.2450758297
   N   3   -0.2606266412
   N   4   -0.3567768570
   C   5    0.0785984351
   C   6   -0.0241219226
   C   7    0.0436857828
   C   8    0.0416439441
   C   9    0.0482130996
   C  10    0.3383368871
   H  11    0.0644942011
   H  12    0.0837646823
   H  13    0.0848162402
   H  14    0.1423648049
   H  15    0.1423648049
   H  16    0.2954087557


BOND ANGLES
  10    1   16   C2   O3   HO    120.001
   8    3    9  Car  Nar  Car    120.001
   7    4   14  Car  Npl   HC    119.998
   7    4   15  Car  Npl   HC    120.000
  14    4   15   HC  Npl   HC    120.002
   6    5    8  Car  Car  Car    119.999
   6    5   10  Car  Car   C2    120.001
   8    5   10  Car  Car   C2    120.001
   5    6    7  Car  Car  Car    120.001
   5    6   11  Car  Car   HC    120.002
   7    6   11  Car  Car   HC    119.997
   4    7    6  Npl  Car  Car    119.998
   4    7    9  Npl  Car  Car    120.001
   6    7    9  Car  Car  Car    120.001
   3    8    5  Nar  Car  Car    120.001
   3    8   12  Nar  Car   HC    119.997
   5    8   12  Car  Car   HC    120.002
   3    9    7  Nar  Car  Car    119.999
   3    9   13  Nar  Car   HC    120.001
   7    9   13  Car  Car   HC    120.001
   1   10    2   O3   C2   O2    119.999
   1   10    5   O3   C2  Car    120.001
   2   10    5   O2   C2  Car    120.001


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