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3,3'-Dihydroxybenzidine
3,3'-Dihydroxybenzidine ID: API-45606
CAS:2373-98-0
Supplier:APIchem

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SMILES:Oc1cc(c2cc(O)c(N)cc2)ccc1N	ChemMol.com
FORMULA: C12H12N2O2
MASS: 216.2359
EXACT MASS: 216.0898776
INTERATOMIC DISTANCES

              O   1      O   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    6.0828     0.0000 
   N   3    6.2450     2.0000     0.0000 
   N   4    2.0000     6.2450     7.0000     0.0000 
   C   5    3.4641     2.6458     3.0000     4.0000     0.0000 
   C   6    2.6457     3.4641     4.0000     3.0000     1.0000     0.0000 
   C   7    4.3589     1.7321     2.6457     4.5826     1.0000     1.7320 
   C   8    1.7320     4.3589     4.5826     2.6457     1.7320     1.0000 
   C   9    2.9999     3.6056     4.5826     2.6457     1.7320     1.0000 
   C  10    3.6055     3.0000     2.6457     4.5826     1.0000     1.7320 
   C  11    5.1961     1.0001     1.7320     5.5678     1.7320     2.6457 
   C  12    1.0000     5.1962     5.5678     1.7320     2.6457     1.7320 
   C  13    5.2915     1.7321     1.0000     6.0000     2.0000     3.0000 
   C  14    1.7320     5.2915     6.0000     1.0000     3.0000     2.0000 
   C  15    4.5826     2.6458     1.7320     5.5678     1.7320     2.6457 
   C  16    2.6457     4.5826     5.5678     1.7320     2.6457     1.7320 
   H  17    4.4726     1.8397     3.1408     4.4187     1.4158     1.8397 
   H  18    1.8397     4.4727     4.4187     3.1408     1.8397     1.4158 
   H  19    3.2069     3.6201     3.1408     4.4187     1.4158     1.8397 
   H  20    3.6200     3.2069     4.4187     3.1408     1.8397     1.4158 
   H  21    4.8212     3.1409     1.8397     5.9770     2.2901     3.1408 
   H  22    3.1408     4.8212     5.9770     1.8397     3.1408     2.2901 
   H  23    6.4222     2.6200     0.6200     7.3297     3.3533     4.3433 
   H  24    6.7056     1.7732     0.6201     7.3297     3.3533     4.3433 
   H  25    2.6200     6.4222     7.3297     0.6201     4.3433     3.3533 
   H  26    1.7732     6.7056     7.3297     0.6200     4.3433     3.3533 
   H  27    6.1647     0.6200     2.6200     6.1257     2.8292     3.5192 
   H  28    0.6201     6.1648     6.1257     2.6200     3.5192     2.8292 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.6457     0.0000 
   C   9    2.0000     1.7320     0.0000 
   C  10    1.7320     2.0000     2.6457     0.0000 
   C  11    1.0000     3.4641     3.0000     2.0000     0.0000 
   C  12    3.4641     1.0000     2.0000     3.0000     4.3589     0.0000 
   C  13    1.7320     3.6055     3.6055     1.7320     1.0000     4.5826 
   C  14    3.6055     1.7320     1.7320     3.6055     4.5826     1.0000 
   C  15    2.0000     3.0000     3.4641     1.0000     1.7320     4.0000 
   C  16    3.0000     2.0000     1.0000     3.4641     4.0000     1.7320 
   H  17    0.6201     2.8292     1.7733     2.2901     1.4158     3.5192 
   H  18    2.8292     0.6201     2.2901     1.7733     3.5192     1.4158 
   H  19    2.2901     1.7733     2.8292     0.6201     2.6200     2.7431 
   H  20    1.7733     2.2901     0.6201     2.8292     2.7431     2.6200 
   H  21    2.6200     3.3533     4.0130     1.4158     2.2901     4.3433 
   H  22    3.3533     2.6200     1.4158     4.0130     4.3433     2.2901 
   H  23    3.1407     4.8212     5.0104     2.8292     2.2900     5.8193 
   H  24    2.8292     5.0104     4.8212     3.1408     1.8397     5.9770 
   H  25    4.8212     3.1408     2.8292     5.0104     5.8193     2.2901 
   H  26    5.0104     2.8292     3.1407     4.8212     5.9770     1.8397 
   H  27    1.8397     4.4726     3.4849     3.3533     1.4158     5.2330 
   H  28    4.4726     1.8397     3.3533     3.4849     5.2330     1.4158 

              C  13      C  14      C  15      C  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    5.0000     0.0000 
   C  15    1.0000     4.5826     0.0000 
   C  16    4.5826     1.0000     4.3589     0.0000 
   H  17    2.2901     3.4849     2.6200     2.7431     0.0000 
   H  18    3.4849     2.2901     2.7431     2.6200     3.1270     0.0000 
   H  19    2.2901     3.4849     1.4158     3.5192     2.8060     1.3800 
   H  20    3.4849     2.2901     3.5192     1.4158     1.3800     2.8060 
   H  21    1.4158     5.0104     0.6201     4.8708     3.2401     3.0000 
   H  22    5.0104     1.4158     4.8708     0.6201     3.0000     3.2401 
   H  23    1.4158     6.3328     1.8397     5.9770     3.6739     4.5826 
   H  24    1.4158     6.3328     2.2901     5.8193     3.2380     4.9004 
   H  25    6.3328     1.4158     5.9770     1.8397     4.5826     3.6740 
   H  26    6.3328     1.4158     5.8193     2.2900     4.9003     3.2380 
   H  27    2.2901     5.2100     3.1408     4.4187     1.7320     4.6667 
   H  28    5.2100     2.2901     4.4187     3.1408     4.6667     1.7320 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    3.1270     0.0000 
   H  21    1.6200     4.1078     0.0000 
   H  22    4.1078     1.6200     5.4054     0.0000 
   H  23    3.2380     4.9003     1.7321     6.4201     0.0000 
   H  24    3.6740     4.5826     2.4523     6.1810     1.0739     0.0000 
   H  25    4.9004     3.2380     6.4201     1.7320     7.6953     7.6200 
   H  26    4.5826     3.6739     6.1810     2.4522     7.6200     7.6953 
   H  27    3.9666     3.0074     3.6740     4.5826     3.2400     2.3715 
   H  28    3.0074     3.9666     4.5826     3.6740     6.2450     6.6237 

              H  25      H  26      H  27      H  28
              --------------------------------------------
   H  25    0.0000 
   H  26    1.0739     0.0000 
   H  27    6.2450     6.6237     0.0000 
   H  28    3.2401     2.3716     6.3070     0.0000 



ATOMIC CHARGES
   O   1   -0.5049086161
   O   2   -0.5049086161
   N   3   -0.3551512081
   N   4   -0.3551512081
   C   5   -0.0142041615
   C   6   -0.0142041615
   C   7   -0.0106320954
   C   8   -0.0106320954
   C   9   -0.0520647909
   C  10   -0.0520647909
   C  11    0.1379616225
   C  12    0.1379616225
   C  13    0.0666249766
   C  14    0.0666249766
   C  15   -0.0369074511
   C  16   -0.0369074511
   H  17    0.0660651632
   H  18    0.0660651632
   H  19    0.0624216356
   H  20    0.0624216356
   H  21    0.0637235063
   H  22    0.0637235063
   H  23    0.1424255536
   H  24    0.1424255536
   H  25    0.1424255536
   H  26    0.1424255536
   H  27    0.2922203120
   H  28    0.2922203120


BOND ANGLES
  12    1   28  Car   O3   HO    120.002
  11    2   27  Car   O3   HO    120.000
  13    3   23  Car  Npl   HC    120.002
  13    3   24  Car  Npl   HC    119.997
  23    3   24   HC  Npl   HC    120.001
  14    4   25  Car  Npl   HC    119.997
  14    4   26  Car  Npl   HC    120.002
  25    4   26   HC  Npl   HC    120.001
   6    5    7  Car  Car  Car    120.001
   6    5   10  Car  Car  Car    120.001
   7    5   10  Car  Car  Car    119.999
   5    6    8  Car  Car  Car    120.001
   5    6    9  Car  Car  Car    120.001
   8    6    9  Car  Car  Car    119.999
   5    7   11  Car  Car  Car    120.001
   5    7   17  Car  Car   HC    120.002
  11    7   17  Car  Car   HC    119.997
   6    8   12  Car  Car  Car    120.001
   6    8   18  Car  Car   HC    120.002
  12    8   18  Car  Car   HC    119.997
   6    9   16  Car  Car  Car    120.001
   6    9   20  Car  Car   HC    120.002
  16    9   20  Car  Car   HC    119.997
   5   10   15  Car  Car  Car    120.001
   5   10   19  Car  Car   HC    120.002
  15   10   19  Car  Car   HC    119.997
   2   11    7   O3  Car  Car    119.998
   2   11   13   O3  Car  Car    120.001
   7   11   13  Car  Car  Car    120.001
   1   12    8   O3  Car  Car    120.001
   1   12   14   O3  Car  Car    119.999
   8   12   14  Car  Car  Car    120.001
   3   13   11  Npl  Car  Car    120.001
   3   13   15  Npl  Car  Car    120.001
  11   13   15  Car  Car  Car    119.999
   4   14   12  Npl  Car  Car    120.001
   4   14   16  Npl  Car  Car    120.001
  12   14   16  Car  Car  Car    119.999
  10   15   13  Car  Car  Car    120.001
  10   15   21  Car  Car   HC    119.997
  13   15   21  Car  Car   HC    120.002
   9   16   14  Car  Car  Car    120.001
   9   16   22  Car  Car   HC    119.997
  14   16   22  Car  Car   HC    120.002


TORSION ANGLES
  28    1   12    8      0.026
  28    1   12   14    179.974
  27    2   11    7      0.026
  27    2   11   13    179.974
  23    3   13   11    179.974
  23    3   13   15      0.026
  24    3   13   11      0.026
  24    3   13   15    179.974
  25    4   14   12    179.974
  25    4   14   16      0.026
  26    4   14   12      0.026
  26    4   14   16    179.974
   7    5    6    8    179.974
   7    5    6    9      0.026
  10    5    6    8      0.026
  10    5    6    9    179.974
   6    5    7   11    179.974
   6    5    7   17      0.026
  10    5    7   11      0.026
  10    5    7   17    179.974
   6    5   10   15    179.974
   6    5   10   19      0.026
   7    5   10   15      0.026
   7    5   10   19    179.974
   5    6    8   12    179.974
   5    6    8   18      0.026
   9    6    8   12      0.026
   9    6    8   18    179.974
   5    6    9   16    179.974
   5    6    9   20      0.026
   8    6    9   16      0.026
   8    6    9   20    179.974
   5    7   11    2    179.974
   5    7   11   13      0.026
  17    7   11    2      0.026
  17    7   11   13    179.974
   6    8   12    1    179.974
   6    8   12   14      0.026
  18    8   12    1      0.026
  18    8   12   14    179.974
   6    9   16   14      0.026
   6    9   16   22    179.974
  20    9   16   14    179.974
  20    9   16   22      0.026
   5   10   15   13      0.026
   5   10   15   21    179.974
  19   10   15   13    179.974
  19   10   15   21      0.026
   2   11   13    3      0.026
   2   11   13   15    179.974
   7   11   13    3    179.974
   7   11   13   15      0.026
   1   12   14    4      0.026
   1   12   14   16    179.974
   8   12   14    4    179.974
   8   12   14   16      0.026
   3   13   15   10    179.974
   3   13   15   21      0.026
  11   13   15   10      0.026
  11   13   15   21    179.974
   4   14   16    9    179.974
   4   14   16   22      0.026
  12   14   16    9      0.026
  12   14   16   22    179.974