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2-Amino-6-chloro-1,2,3,4-tetrahydro-naphthalen-1-ol 1HCl salt
2-Amino-6-chloro-1,2,3,4-tetrahydro-naphthalen-1-ol 1HCl salt ID: B204026
CAS:66361-36-2
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12c(cc(cc2)Cl)CCC(C1O)N	
FORMULA: C10H12ClNO
MASS: 197.6614
EXACT MASS: 197.0607417
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.5333     0.0000 
   C   3    0.5318     0.9204     0.0000 
   C   4    0.5282     0.9183     0.9208     0.0000 
   C   5    0.9208     1.0641     0.5282     1.4039     0.0000 
   C   6    0.9220     0.5303     1.4060     1.0625     1.5943     0.0000 
   C   7    0.9241     0.5339     1.0625     1.4060     0.9220     0.9208 
   C   8    1.0641     0.9208     0.9183     1.5922     0.5333     1.4047 
   C   9    1.0641     0.9208     1.5959     0.9204     1.9173     0.5339 
   O  10    0.9204     1.4073     0.5333     1.0641     0.9183     1.8424 
   C  11    0.9208     1.0641     1.4080     0.5318     1.8416     0.9241 
   N  12    1.4080     1.5959     0.9208     1.8416     0.5318     2.1261 
  Cl  13    1.5944     1.4047     2.1262     1.4060     2.4352     0.9209 

              C   7      C   8      C   9      O  10      C  11      N  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.5303     0.0000 
   C   9    1.4088     1.8416     0.0000 
   O  10    1.5958     1.4059     1.9183     0.0000 
   C  11    1.5980     1.9173     0.5333     1.5959     0.0000 
   N  12    1.4060     0.9204     2.4377     1.0641     2.3190     0.0000 
  Cl  13    1.8417     2.3154     0.5303     2.4369     0.9220     2.9598 

             Cl  13
              -----------
  Cl  13    0.0000 



ATOMIC CHARGES
   C   1    0.0052345354
   C   2   -0.0228552948
   C   3    0.1913454331
   C   4   -0.0012392877
   C   5    0.1266322335
   C   6    0.0068956183
   C   7    0.0277214966
   C   8    0.0266464880
   C   9    0.0573408488
   O  10   -0.2167437271
   C  11    0.0111298137
   N  12   -0.1298532431
  Cl  13   -0.0822549147


BOND ANGLES
   2    1    3  Car  Car   C3    119.578
   2    1    4  Car  Car  Car    119.803
   3    1    4   C3  Car  Car    120.619
   1    2    6  Car  Car  Car    120.197
   1    2    7  Car  Car   C3    119.970
   6    2    7  Car  Car   C3    119.834
   1    3    5  Car   C3   C3    120.619
   1    3   10  Car   C3   O3    119.578
   5    3   10   C3   C3   O3    119.803
   1    4   11  Car  Car  Car    120.619
   3    5    8   C3   C3   C3    119.803
   3    5   12   C3   C3   N3    120.619
   8    5   12   C3   C3   N3    119.578
   2    6    9  Car  Car  Car    119.834
   2    7    8  Car   C3   C3    119.834
   5    8    7   C3   C3   C3    120.197
  11    9   13  Car  Car   Cl    120.191
   6    9   11  Car  Car  Car    119.970
   6    9   13  Car  Car   Cl    119.839
   4   11    9  Car  Car  Car    119.578


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


CHIRAL ATOMS
   2    6    9   13    179.974
   2    6    9   13    179.974