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2-Amino-1,2,3,4-tetrahydro-naphthalen-1-ol 1HCl salt
2-Amino-1,2,3,4-tetrahydro-naphthalen-1-ol 1HCl salt ID: B204010
CAS:103030-73-5
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12C(C(CCc1cccc2)N)O	
FORMULA: C10H13NO
MASS: 163.2163
EXACT MASS: 163.0997140
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6011     0.0000 
   C   3    0.6000     1.0399     0.0000 
   C   4    1.0417     0.6010     1.2021     0.0000 
   C   5    1.0399     1.2000     0.6011     1.0398     0.0000 
   C   6    1.2021     1.0398     1.0417     0.6000     0.6010     0.0000 
   O   7    1.0399     0.6000     1.5879     1.0398     1.8000     1.5878 
   N   8    1.5870     1.0375     1.7996     0.5975     1.5863     1.0378 
   C   9    0.5974     1.0375     1.0377     1.5869     1.5863     1.7995 
   C  10    1.0377     1.5863     0.5974     1.7995     1.0375     1.5869 
   C  11    1.0375     1.5870     1.1985     2.0792     1.7996     2.1640 
   C  12    1.1985     1.7996     1.0375     2.1640     1.5870     2.0792 

              O   7      N   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   N   8    1.1985     0.0000 
   C   9    1.1985     2.0750     0.0000 
   C  10    2.0776     2.3970     1.2000     0.0000 
   C  11    1.7996     2.6132     0.6011     1.0399     0.0000 
   C  12    2.1630     2.7475     1.0399     0.6011     0.6000     0.0000 




ATOMIC CHARGES
   C   1    0.0051820087
   C   2    0.1913447779
   C   3   -0.0236935521
   C   4    0.1266322292
   C   5    0.0276943900
   C   6    0.0266461411
   O   7   -0.2167437300
   N   8   -0.1298532431
   C   9   -0.0021048082
   C  10   -0.0044996337
   C  11   -0.0002641729
   C  12   -0.0003404069


BOND ANGLES
   2    1    3   C3  Car  Car    119.939
   2    1    9   C3  Car  Car    119.917
   3    1    9  Car  Car  Car    120.145
   1    2    4  Car   C3   C3    120.118
   1    2    7  Car   C3   O3    119.939
   4    2    7   C3   C3   O3    119.944
   1    3    5  Car  Car   C3    119.939
   1    3   10  Car  Car  Car    120.145
   5    3   10   C3  Car  Car    119.917
   2    4    6   C3   C3   C3    119.944
   2    4    8   C3   C3   N3    119.917
   6    4    8   C3   C3   N3    120.140
   3    5    6  Car   C3   C3    120.118
   4    6    5   C3   C3   C3    119.944
   1    9   11  Car  Car  Car    119.917
   3   10   12  Car  Car  Car    119.917
   9   11   12  Car  Car  Car    119.939
  10   12   11  Car  Car  Car    119.939


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


CHIRAL ATOMS
   3   10   12   11      0.026
   3   10   12   11      0.026