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6-Amino-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ol 1HCl salt
6-Amino-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ol 1HCl salt ID: B204030
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12C(C(N)CCCc1cccc2)O	
FORMULA: C11H15NO
MASS: 177.2429
EXACT MASS: 177.1153641
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      O   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.5987     0.0000 
   C   3    0.6000     1.0809     0.0000 
   C   4    1.0815     0.6025     1.3489     0.0000 
   O   5    1.0146     0.5984     1.5935     1.0165     0.0000 
   N   6    1.5932     1.0160     1.9373     0.5994     1.1190     0.0000 
   C   7    0.6010     0.9903     1.0398     1.5761     1.0784     1.9890 
   C   8    1.3464     1.3473     1.0806     1.0791     1.9351     1.5937 
   C   9    1.0809     1.3500     0.5987     1.3510     1.9379     1.9406 
   C  10    1.3463     1.0821     1.3463     0.6000     1.5944     1.0187 
   C  11    1.0398     1.6127     0.6010     1.9452     2.0452     2.5271 
   C  12    1.0417     1.5543     1.2021     2.1098     1.6760     2.5675 
   C  13    1.2021     1.7961     1.0417     2.2586     2.0782     2.7941 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.9428     0.0000 
   C   9    1.6127     0.6034     0.0000 
   C  10    1.9290     0.5963     1.0821     0.0000 
   C  11    1.2000     1.5762     0.9903     1.9290     0.0000 
   C  12    0.6011     2.2570     1.7961     2.3732     1.0399     0.0000 
   C  13    1.0399     2.1093     1.5543     2.3732     0.6011     0.6000 

              C  13
              -----------
   C  13    0.0000 



ATOMIC CHARGES
   C   1    0.0051812818
   C   2    0.1913339628
   C   3   -0.0237411681
   C   4    0.1263081463
   O   5   -0.2167438797
   N   6   -0.1298643410
   C   7   -0.0021048111
   C   8    0.0062479537
   C   9    0.0261613001
   C  10    0.0223263560
   C  11   -0.0045002187
   C  12   -0.0002641729
   C  13   -0.0003404092


BOND ANGLES
   2    1    3   C3  Car  Car    128.782
   2    1    7   C3  Car  Car    111.274
   3    1    7  Car  Car  Car    119.944
   1    2    4  Car   C3   C3    128.425
   1    2    5  Car   C3   O3    115.900
   4    2    5   C3   C3   O3    115.675
   1    3    9  Car  Car   C3    128.782
   1    3   11  Car  Car  Car    119.944
   9    3   11   C3  Car  Car    111.274
   2    4    6   C3   C3   N3    115.425
   2    4   10   C3   C3   C3    128.290
   6    4   10   N3   C3   C3    116.285
   1    7   12  Car  Car  Car    120.118
   9    8   10   C3   C3   C3    128.840
   3    9    8  Car   C3   C3    128.045
   4   10    8   C3   C3   C3    128.836
   3   11   13  Car  Car  Car    120.118
   7   12   13  Car  Car  Car    119.939
  11   13   12  Car  Car  Car    119.939


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


CHIRAL ATOMS
   3   11   13   12      0.026
   3   11   13   12      0.026