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9H-carbazole-3,6-diamine
9H-carbazole-3,6-diamine ID: AN-42355
CAS:86-71-5
Supplier:AN PharmaTech Co Ltd

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SMILES:[nH]1c2c(c3c1ccc(N)c3)cc(N)cc2	47108
FORMULA: C12H11N3
MASS: 197.2358
EXACT MASS: 197.0952974
INTERATOMIC DISTANCES

              N   1      N   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    4.0534     0.0000 
   N   3    4.0534     5.7435     0.0000 
   C   4    1.6181     2.7151     3.6216     0.0000 
   C   5    1.6181     3.6215     2.7152     1.0000     0.0000 
   C   6    1.0000     3.0693     4.3260     1.0000     1.6180     0.0000 
   C   7    1.0000     4.3259     3.0693     1.6180     1.0000     1.6180 
   C   8    2.6083     1.7702     4.0921     1.0416     1.8587     1.7760 
   C   9    2.6083     4.0921     1.7702     1.8588     1.0416     2.6437 
   C  10    1.8587     2.7151     5.3225     1.7760     2.6083     1.0416 
   C  11    1.8587     5.3224     2.7152     2.6083     1.7760     2.6436 
   C  12    3.0557     0.9999     5.1318     1.8001     2.7661     2.0694 
   C  13    3.0557     5.1317     1.0000     2.7661     1.8001     3.3792 
   C  14    2.7661     1.7701     5.6714     2.0693     3.0556     1.8001 
   C  15    2.7662     5.6714     1.7701     3.0557     2.0694     3.3793 
   H  16    0.6200     4.5123     4.5124     2.2160     2.2160     1.4537 
   H  17    3.0736     1.8858     3.8587     1.4558     2.0230     2.3300 
   H  18    3.0736     3.8586     1.8859     2.0230     1.4558     2.9362 
   H  19    2.0230     3.2147     5.7805     2.3299     3.0736     1.4558 
   H  20    2.0230     5.7804     3.2147     3.0736     2.3299     2.9362 
   H  21    3.2869     1.8858     6.2888     2.6893     3.6741     2.3594 
   H  22    3.2869     6.2887     1.8858     3.6741     2.6893     3.9631 
   H  23    4.4246     0.6200     6.3518     3.2095     4.1543     3.4255 
   H  24    4.3670     0.6201     5.5809     2.8972     3.7081     3.4180 
   H  25    4.4246     6.3517     0.6199     4.1543     3.2095     4.7949 
   H  26    4.3670     5.5808     0.6201     3.7081     2.8972     4.5109 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.6436     0.0000 
   C   9    1.7761     2.3699     0.0000 
   C  10    2.6436     2.0693     3.5958     0.0000 
   C  11    1.0416     3.5957     2.0693     3.6488     0.0000 
   C  12    3.3792     1.0417     3.3969     1.8001     4.3972     0.0000 
   C  13    2.0694     3.3968     1.0416     4.3972     1.8001     4.4110 
   C  14    3.3792     1.8001     3.9012     1.0416     4.4191     1.0416 
   C  15    1.8002     3.9012     1.8001     4.4192     1.0417     4.8355 
   H  16    1.4537     3.1731     3.1732     2.0689     2.0689     3.5134 
   H  17    2.9362     0.6200     2.2496     2.6892     3.7989     1.4558 
   H  18    2.3300     2.2495     0.6200     3.7989     2.6892     3.2899 
   H  19    2.9362     2.6892     4.0933     0.6200     3.8790     2.3593 
   H  20    1.4558     4.0933     2.6892     3.8790     0.6200     4.8261 
   H  21    3.9631     2.3594     4.5187     1.4558     4.9985     1.4558 
   H  22    2.3594     4.5186     2.3593     4.9985     1.4558     5.4554 
   H  23    4.7949     2.3302     4.6817     2.8972     5.8121     1.4158 
   H  24    4.5109     1.8700     4.0237     3.2096     5.4629     1.4158 
   H  25    3.4255     4.6816     2.3301     5.8121     2.8972     5.7178 
   H  26    3.4180     4.0236     1.8699     5.4629     3.2096     5.0625 

              C  13      C  14      C  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    4.8354     0.0000 
   C  15    1.0416     5.0547     0.0000 
   H  16    3.5134     3.0708     3.0709     0.0000 
   H  17    3.2899     2.3592     3.9421     3.6662     0.0000 
   H  18    1.4558     3.9421     2.3593     3.6662     1.9732     0.0000 
   H  19    4.8261     1.4558     4.7362     2.0455     3.3092     4.3451 
   H  20    2.3593     4.7361     1.4558     2.0455     4.3451     3.3092 
   H  21    5.4554     0.6201     5.6622     3.5241     2.8787     4.5445 
   H  22    1.4558     5.6621     0.6200     3.5241     4.5445     2.8787 
   H  23    5.7178     1.8699     6.2181     4.8323     2.4984     4.4688 
   H  24    5.0625     2.3302     5.7011     4.8716     1.7750     3.7039 
   H  25    1.4158     6.2180     1.8699     4.8323     4.4688     2.4984 
   H  26    1.4158     5.7010     2.3302     4.8716     3.7039     1.7750 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    4.0184     0.0000 
   H  21    1.6657     5.2874     0.0000 
   H  22    5.2874     1.6657     6.2666     0.0000 
   H  23    3.3139     6.2402     1.7750     6.8374     0.0000 
   H  24    3.7460     5.9627     2.4985     6.3091     1.0739     0.0000 
   H  25    6.2402     3.3139     6.8374     1.7750     6.9574     6.1980 
   H  26    5.9627     3.7460     6.3091     2.4985     6.1980     5.3558 

              H  25      H  26
              ----------------------
   H  25    0.0000 
   H  26    1.0739     0.0000 



ATOMIC CHARGES
   N   1   -0.3541207902
   N   2   -0.3579429726
   N   3   -0.3579429726
   C   4    0.0091844030
   C   5    0.0091844030
   C   6    0.0475929650
   C   7    0.0475929650
   C   8   -0.0313022154
   C   9   -0.0313022154
   C  10   -0.0360331765
   C  11   -0.0360331765
   C  12    0.0252455576
   C  13    0.0252455576
   C  14   -0.0390747483
   C  15   -0.0390747483
   H  16    0.1659055936
   H  17    0.0642607280
   H  18    0.0642607280
   H  19    0.0638786984
   H  20    0.0638786984
   H  21    0.0636525284
   H  22    0.0636525284
   H  23    0.1423229154
   H  24    0.1423229154
   H  25    0.1423229154
   H  26    0.1423229154


BOND ANGLES
   6    1    7  Car  Nar  Car    107.997
   6    1   16  Car  Nar   HC    126.001
   7    1   16  Car  Nar   HC    126.001
  12    2   23  Car  Npl   HC    120.005
  12    2   24  Car  Npl   HC    120.010
  23    2   24   HC  Npl   HC    119.985
  13    3   25  Car  Npl   HC    120.008
  13    3   26  Car  Npl   HC    119.997
  25    3   26   HC  Npl   HC    119.996
   5    4    6  Car  Car  Car    107.998
   5    4    8  Car  Car  Car    131.115
   6    4    8  Car  Car  Car    120.887
   4    5    7  Car  Car  Car    107.998
   4    5    9  Car  Car  Car    131.119
   7    5    9  Car  Car  Car    120.883
   1    6    4  Nar  Car  Car    108.003
   1    6   10  Nar  Car  Car    131.118
   4    6   10  Car  Car  Car    120.879
   1    7    5  Nar  Car  Car    108.003
   1    7   11  Nar  Car  Car    131.118
   5    7   11  Car  Car  Car    120.879
   4    8   12  Car  Car  Car    119.558
   4    8   17  Car  Car   HC    120.231
  12    8   17  Car  Car   HC    120.211
   5    9   13  Car  Car  Car    119.561
   5    9   18  Car  Car   HC    120.218
  13    9   18  Car  Car   HC    120.221
   6   10   14  Car  Car  Car    119.559
   6   10   19  Car  Car   HC    120.223
  14   10   19  Car  Car   HC    120.218
   7   11   15  Car  Car  Car    119.563
   7   11   20  Car  Car   HC    120.223
  15   11   20  Car  Car   HC    120.214
   2   12    8  Npl  Car  Car    120.220
   2   12   14  Npl  Car  Car    120.226
   8   12   14  Car  Car  Car    119.554
   3   13    9  Npl  Car  Car    120.223
   3   13   15  Npl  Car  Car    120.217
   9   13   15  Car  Car  Car    119.560
  10   14   12  Car  Car  Car    119.564
  10   14   21  Car  Car   HC    120.215
  12   14   21  Car  Car   HC    120.222
  11   15   13  Car  Car  Car    119.554
  11   15   22  Car  Car   HC    120.217
  13   15   22  Car  Car   HC    120.229


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