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4-Amino-3-methyl-phenol
4-Amino-3-methyl-phenol ID: API-9386
CAS:2835-99-6
Supplier:APIchem

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SMILES:Oc1cc(c(N)cc1)C	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    4.0000     0.0000 
   C   3    2.6457     1.7320     0.0000 
   C   4    3.0000     1.0000     1.0000     0.0000 
   C   5    1.7320     2.6457     1.0000     1.7320     0.0000 
   C   6    2.6458     1.7321     1.7321     1.0001     2.0000     0.0000 
   C   7    1.0000     3.0000     1.7320     2.0000     1.0000     1.7321 
   C   8    3.4641     2.0000     1.0000     1.7320     1.7320     2.6458 
   C   9    1.7321     2.6458     2.0000     1.7321     1.7321     1.0000 
   H  10    1.8396     3.1407     1.4158     2.2900     0.6200     2.6200 
   H  11    3.1408     1.8397     2.2901     1.4158     2.6200     0.6200 
   H  12    3.8121     1.4955     1.1766     1.5200     2.1114     2.5121 
   H  13    4.0130     2.3715     1.6199     2.2900     2.2900     3.2380 
   H  14    3.1995     2.5557     1.1766     2.1114     1.5200     2.9083 
   H  15    1.8397     3.1408     2.6200     2.2901     2.2901     1.4158 
   H  16    4.3433     0.6201     2.2901     1.4158     3.1408     1.8397 
   H  17    4.3433     0.6200     1.8397     1.4158     2.8292     2.2901 
   H  18    0.6201     4.3433     3.1408     3.3533     2.2901     2.8292 

              C   7      C   8      C   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.6457     0.0000 
   C   9    1.0001     3.0000     0.0000 
   H  10    1.4157     1.8397     2.2901     0.0000 
   H  11    2.2901     3.1408     1.4158     3.2400     0.0000 
   H  12    2.9083     0.6200     3.0634     2.3470     2.9170     0.0000 
   H  13    3.2379     0.6200     3.6200     2.2901     3.7058     0.8768 
   H  14    2.5121     0.6200     3.0634     1.4245     3.4624     1.2399 
   H  15    1.4158     3.6200     0.6200     2.8059     1.6200     3.6727 
   H  16    3.3533     2.6200     2.8292     3.6739     1.7320     2.1060 
   H  17    3.3533     1.7732     3.1408     3.2380     2.4522     1.1752 
   H  18    1.4158     4.0130     1.8397     2.4522     3.2380     4.3170 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.8768     0.0000 
   H  15    4.2400     3.6727     0.0000 
   H  16    2.9788     3.1721     3.2380     0.0000 
   H  17    2.0000     2.3825     3.6739     1.0739     0.0000 
   H  18    4.5801     3.7870     1.7320     4.6200     4.7432     0.0000 




ATOMIC CHARGES
   O   1   -0.5067587839
   N   2   -0.3577544561
   C   3   -0.0263745958
   C   4    0.0277150581
   C   5   -0.0155279136
   C   6   -0.0373468262
   C   7    0.1172259548
   C   8   -0.0378568075
   C   9   -0.0184284070
   H  10    0.0657162377
   H  11    0.0637101183
   H  12    0.0278122290
   H  13    0.0278122290
   H  14    0.0278122290
   H  15    0.0654515463
   H  16    0.1423302004
   H  17    0.1423302004
   H  18    0.2921317873


BOND ANGLES
   7    1   18  Car   O3   HO    119.997
   4    2   16  Car  Npl   HC    119.997
   4    2   17  Car  Npl   HC    120.002
  16    2   17   HC  Npl   HC    120.001
   4    3    5  Car  Car  Car    120.001
   4    3    8  Car  Car   C3    119.999
   5    3    8  Car  Car   C3    120.001
   2    4    3  Npl  Car  Car    120.001
   2    4    6  Npl  Car  Car    119.998
   3    4    6  Car  Car  Car    120.001
   3    5    7  Car  Car  Car    120.001
   3    5   10  Car  Car   HC    120.002
   7    5   10  Car  Car   HC    119.998
   4    6    9  Car  Car  Car    119.998
   4    6   11  Car  Car   HC    120.000
   9    6   11  Car  Car   HC    120.002
   1    7    5   O3  Car  Car    120.001
   1    7    9   O3  Car  Car    119.998
   5    7    9  Car  Car  Car    120.001
   3    8   12  Car   C3   HC     89.999
   3    8   13  Car   C3   HC    179.974
   3    8   14  Car   C3   HC     90.001
  12    8   13   HC   C3   HC     90.000
  12    8   14   HC   C3   HC    179.974
  13    8   14   HC   C3   HC     90.000
   6    9    7  Car  Car  Car    119.998
   6    9   15  Car  Car   HC    120.002
   7    9   15  Car  Car   HC    120.000


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