Sign In Join Free

Products Information

2-Hydroxybenzylamine
2-Hydroxybenzylamine ID: API-42887
CAS:932-30-9
Supplier:APIchem

Get a quote


SMILES:Oc1c(CN)cccc1	ChemMol.com
FORMULA: C7H9NO
MASS: 123.1525
EXACT MASS: 123.0684139
INTERATOMIC DISTANCES

              O   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   N   2    3.0000     0.0000 
   C   3    1.7321     1.7320     0.0000 
   C   4    2.0000     1.0000     1.0000     0.0000 
   C   5    1.0001     2.6457     1.0000     1.7320     0.0000 
   C   6    2.6458     2.0000     1.0000     1.7320     1.7320     0.0000 
   C   7    1.7321     3.4641     1.7320     2.6457     1.0000     2.0000 
   C   8    3.0000     3.0000     1.7320     2.6457     2.0000     1.0000 
   C   9    2.6458     3.6055     2.0000     3.0000     1.7320     1.7320 
   H  10    2.1943     1.0813     1.5967     0.6200     2.1828     2.3451 
   H  11    1.4332     1.5968     1.0812     0.6200     1.4155     2.0295 
   H  12    3.1409     1.7733     1.4158     1.8397     2.2901     0.6201 
   H  13    1.8397     4.0130     2.2901     3.1408     1.4158     2.6200 
   H  14    3.6201     3.3533     2.2901     3.1408     2.6200     1.4158 
   H  15    3.1408     4.2100     2.6200     3.6200     2.2901     2.2901 
   H  16    3.3533     0.6200     2.2901     1.4158     3.1407     2.6200 
   H  17    3.3533     0.6201     1.8397     1.4158     2.8292     1.7733 
   H  18    0.6200     3.6200     2.2901     2.6200     1.4158     3.1408 

              C   7      C   8      C   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    1.0000     1.0000     0.0000 
   H  10    3.1512     3.2657     3.5889     0.0000 
   H  11    2.4059     2.8113     2.9561     0.7971     0.0000 
   H  12    2.6200     1.4158     2.2901     2.3981     2.2860     0.0000 
   H  13    0.6201     2.2901     1.4158     3.5955     2.8161     3.2401 
   H  14    2.2901     0.6201     1.4158     3.7574     3.3700     1.6200 
   H  15    1.4158     1.4158     0.6200     4.2079     3.5650     2.8059 
   H  16    4.0130     3.6200     4.2100     1.2046     1.9203     2.3716 
   H  17    3.5192     2.7431     3.4849     1.6621     2.0355     1.3800 
   H  18    1.8397     3.3533     2.8292     2.7951     2.0484     3.6740 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    2.8060     0.0000 
   H  15    1.6200     1.6200     0.0000 
   H  16    4.5380     3.9665     4.8185     0.0000 
   H  17    4.1078     3.0000     4.0601     1.0739     0.0000 
   H  18    1.7320     3.9666     3.2380     3.9665     3.9666     0.0000 




ATOMIC CHARGES
   O   1   -0.5064529172
   N   2   -0.3260075184
   C   3    0.0075851846
   C   4    0.0220176020
   C   5    0.1212346146
   C   6   -0.0538855543
   C   7   -0.0198638159
   C   8   -0.0612364296
   C   9   -0.0582929142
   H  10    0.0472444838
   H  11    0.0472444838
   H  12    0.0621834641
   H  13    0.0654031616
   H  14    0.0617697474
   H  15    0.0618709431
   H  16    0.1185200851
   H  17    0.1185200851
   H  18    0.2921452944


BOND ANGLES
   5    1   18  Car   O3   HO    120.000
   4    2   16   C3   N3   HC    120.001
   4    2   17   C3   N3   HC    120.002
  16    2   17   HC   N3   HC    119.997
   4    3    5   C3  Car  Car    120.001
   4    3    6   C3  Car  Car    120.001
   5    3    6  Car  Car  Car    119.999
   2    4    3   N3   C3  Car    120.001
   2    4   10   N3   C3   HC     80.004
   2    4   11   N3   C3   HC    160.002
   3    4   10  Car   C3   HC    159.996
   3    4   11  Car   C3   HC     79.997
  10    4   11   HC   C3   HC     79.999
   1    5    3   O3  Car  Car    120.001
   1    5    7   O3  Car  Car    119.998
   3    5    7  Car  Car  Car    120.001
   3    6    8  Car  Car  Car    120.001
   3    6   12  Car  Car   HC    120.002
   8    6   12  Car  Car   HC    119.997
   5    7    9  Car  Car  Car    120.001
   5    7   13  Car  Car   HC    119.997
   9    7   13  Car  Car   HC    120.002
   6    8    9  Car  Car  Car    120.001
   6    8   14  Car  Car   HC    119.997
   9    8   14  Car  Car   HC    120.002
   7    9    8  Car  Car  Car    119.999
   7    9   15  Car  Car   HC    120.001
   8    9   15  Car  Car   HC    120.001


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