Sign In Join Free

Products Information

6-Amino-1,3-dichloro-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ol 1HCl salt
6-Amino-1,3-dichloro-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ol 1HCl salt ID: B204058
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

Get a quote


SMILES:c12c(c(cc(c2)Cl)Cl)CCCC(C1O)N	
FORMULA: C11H13Cl2NO
MASS: 246.1330
EXACT MASS: 245.0374194
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.5292     0.0000 
   C   3    0.5336     0.9579     0.0000 
   C   4    0.9183     0.5302     1.4285     0.0000 
   C   5    1.0620     0.9208     1.5915     0.5338     0.0000 
   C   6    0.5303     0.9184     0.8775     1.0625     0.9205     0.0000 
   C   7    0.9208     1.0620     1.3784     0.9204     0.5292     0.5339 
   C   8    0.9573     1.1922     0.5306     1.7186     1.9970     1.3928 
  Cl   9    1.4060     0.9220     1.8787     0.5334     0.9241     1.5959 
   O  10    0.9014     1.4115     0.5297     1.8121     1.8419     0.9567 
   N  11    1.4144     1.7165     0.9000     2.2375     2.4753     1.7627 
  Cl  12    1.4047     1.5923     1.7970     1.4060     0.9184     0.9208 
   C  13    0.9579     0.5336     1.1958     0.8775     1.3784     1.4285 
   C  14    1.1922     0.9573     1.1927     1.3928     1.8663     1.7186 
   C  15    1.1968     1.1959     0.9605     1.7090     2.1039     1.7103 

              C   7      C   8     Cl   9      O  10      N  11     Cl  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.8663     0.0000 
  Cl   9    1.4074     2.0769     0.0000 
   O  10    1.4876     0.8987     2.3074     0.0000 
   N  11    2.2762     0.5336     2.6098     0.9916     0.0000 
  Cl  12    0.5303     2.3131     1.8425     1.7775     2.6705     0.0000 
   C  13    1.5915     1.1927     0.9917     1.7165     1.7169     2.1213 
   C  14    1.9970     0.9542     1.5106     1.7131     1.4108     2.5228 
   C  15    2.1045     0.5330     1.9415     1.4136     0.9015     2.6011 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    0.5306     0.0000 
   C  15    0.9579     0.5292     0.0000 



ATOMIC CHARGES
   C   1    0.0068266073
   C   2   -0.0131072114
   C   3    0.1913857495
   C   4    0.0543071099
   C   5    0.0224471484
   C   6    0.0093433137
   C   7    0.0582563097
   C   8    0.1263088612
  Cl   9   -0.0825544384
   O  10   -0.2167431610
   N  11   -0.1298643379
  Cl  12   -0.0822265026
   C  13    0.0270180736
   C  14    0.0062757660
   C  15    0.0223267120


BOND ANGLES
   2    1    3  Car  Car   C3    128.655
   2    1    6  Car  Car  Car    120.197
   3    1    6   C3  Car  Car    111.149
   1    2    4  Car  Car  Car    120.187
   1    2   13  Car  Car   C3    128.655
   4    2   13  Car  Car   C3    111.158
   1    3    8  Car   C3   C3    128.186
   1    3   10  Car   C3   O3    115.928
   8    3   10   C3   C3   O3    115.886
   2    4    9  Car  Car   Cl    120.187
   2    4    5  Car  Car  Car    119.852
   5    4    9  Car  Car   Cl    119.961
   4    5    7  Car  Car  Car    119.961
   1    6    7  Car  Car  Car    119.834
   5    7    6  Car  Car  Car    119.970
   5    7   12  Car  Car   Cl    120.197
   6    7   12  Car  Car   Cl    119.834
   3    8   11   C3   C3   N3    115.496
   3    8   15   C3   C3   C3    129.118
  11    8   15   N3   C3   C3    115.386
   2   13   14  Car   C3   C3    128.186
  13   14   15   C3   C3   C3    129.317
   8   15   14   C3   C3   C3    127.882


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


CHIRAL ATOMS
   9    4    5    7    179.974
   9    4    5    7    179.974