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2-Aminopyridine-4-methanol
2-Aminopyridine-4-methanol ID: API-28847
CAS:105250-17-7
Supplier:APIchem

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SMILES:OCc1cc(ncc1)N	ChemMol.com
FORMULA: C6H8N2O
MASS: 124.1405
EXACT MASS: 124.0636629
INTERATOMIC DISTANCES

              O   1      N   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   N   2    3.6055     0.0000 
   N   3    4.3589     1.7321     0.0000 
   C   4    1.7320     2.0000     2.6458     0.0000 
   C   5    2.6457     1.7320     1.7321     1.0000     0.0000 
   C   6    1.0000     3.0000     3.4641     1.0000     1.7320     0.0000 
   C   7    2.0000     1.7320     3.0000     1.0000     1.7320     1.7320 
   C   8    3.4641     1.0000     1.0001     1.7320     1.0000     2.6457 
   C   9    3.0000     1.0000     2.6458     1.7320     2.0000     2.6457 
   H  10    2.8292     2.2901     1.8397     1.4158     0.6201     1.8397 
   H  11    1.0813     3.5889     3.8917     1.5967     2.1828     0.6200 
   H  12    1.5968     2.9561     3.1021     1.0812     1.4155     0.6200 
   H  13    1.7733     2.2901     3.6201     1.4158     2.2901     1.8397 
   H  14    3.3533     1.4158     3.1409     2.2901     2.6200     3.1408 
   H  15    4.8708     1.8397     0.6200     3.1408     2.2901     4.0131 
   H  16    4.4726     2.2901     0.6200     2.8292     1.8397     3.5192 
   H  17    0.6200     4.2100     4.8708     2.2901     3.1407     1.4158 

              C   7      C   8      C   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.0000     0.0000 
   C   9    1.0000     1.7320     0.0000 
   H  10    2.2901     1.4158     2.6200     0.0000 
   H  11    2.3451     3.1512     3.2657     2.1355     0.0000 
   H  12    2.0295     2.4059     2.8113     1.3414     0.7971     0.0000 
   H  13    0.6201     2.6200     1.4158     2.8060     2.3981     2.2860 
   H  14    1.4158     2.2901     0.6201     3.2401     3.7574     3.3700 
   H  15    3.3533     1.4158     2.8292     2.4522     4.4690     3.6870 
   H  16    3.3533     1.4158     3.1408     1.7320     3.8653     3.0690 
   H  17    2.6200     4.0130     3.6200     3.2380     1.2046     1.9203 

              H  13      H  14      H  15      H  16      H  17
              -------------------------------------------------------
   H  13    0.0000 
   H  14    1.6200     0.0000 
   H  15    3.9666     3.2380     0.0000 
   H  16    3.9666     3.6740     1.0739     0.0000 
   H  17    2.3716     3.9665     5.4053     4.9340     0.0000 



ATOMIC CHARGES
   O   1   -0.3904143400
   N   2   -0.2407080196
   N   3   -0.3431294236
   C   4   -0.0175254145
   C   5   -0.0167433612
   C   6    0.0693819108
   C   7   -0.0381080477
   C   8    0.1164205012
   C   9    0.0300018898
   H  10    0.0655149123
   H  11    0.0607121167
   H  12    0.0607121167
   H  13    0.0636111700
   H  14    0.0830134994
   H  15    0.1437067318
   H  16    0.1437067318
   H  17    0.2098470261


BOND ANGLES
   6    1   17   C3   O3   HO    120.001
   8    2    9  Car  Nar  Car    119.999
   8    3   15  Car  Npl   HC    119.998
   8    3   16  Car  Npl   HC    120.000
  15    3   16   HC  Npl   HC    120.002
   5    4    6  Car  Car   C3    120.001
   5    4    7  Car  Car  Car    119.999
   6    4    7   C3  Car  Car    120.001
   4    5    8  Car  Car  Car    120.001
   4    5   10  Car  Car   HC    120.002
   8    5   10  Car  Car   HC    119.997
   1    6    4   O3   C3  Car    120.001
   1    6   11   O3   C3   HC     80.004
   1    6   12   O3   C3   HC    160.002
   4    6   11  Car   C3   HC    159.996
   4    6   12  Car   C3   HC     79.997
  11    6   12   HC   C3   HC     79.999
   4    7    9  Car  Car  Car    120.001
   4    7   13  Car  Car   HC    120.002
   9    7   13  Car  Car   HC    119.997
   2    8    3  Nar  Car  Npl    120.001
   2    8    5  Nar  Car  Car    120.001
   3    8    5  Npl  Car  Car    119.998
   2    9    7  Nar  Car  Car    120.001
   2    9   14  Nar  Car   HC    120.002
   7    9   14  Car  Car   HC    119.997


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