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2-Amino-7-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ol 1HCl salt
2-Amino-7-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ol 1HCl salt ID: B204014
CAS:91247-12-0
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(ccc2c(c1)C(C(CC2)N)O)OC	
FORMULA: C11H15NO2
MASS: 193.2423
EXACT MASS: 193.1102787
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6000     0.0000 
   C   3    1.0392     0.6000     0.0000 
   C   4    1.2000     1.0392     0.6000     0.0000 
   C   5    1.0392     1.2000     1.0392     0.6000     0.0000 
   C   6    0.6000     1.0392     1.2000     1.0392     0.6000     0.0000 
   C   7    1.8000     1.5874     1.0392     0.6000     1.0392     1.5874 
   C   8    2.1633     2.0784     1.5874     1.0392     1.2000     1.8000 
   C   9    2.0784     2.1633     1.8000     1.2000     1.0392     1.5874 
   C  10    1.5874     1.8000     1.5874     1.0392     0.6000     1.0392 
   O  11    1.8000     2.1633     2.0784     1.5874     1.0392     1.2000 
   N  12    2.6154     2.7496     2.4000     1.8000     1.5875     2.0785 
   O  13    0.5982     1.0364     1.5849     1.7982     1.5865     1.0389 
   C  14    1.7940     1.9836     2.5830     2.9482     2.8241     2.2889 

              C   7      C   8      C   9      C  10      O  11      N  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.6000     0.0000 
   C   9    1.0392     0.6000     0.0000 
   C  10    1.2000     1.0392     0.6000     0.0000 
   O  11    1.8000     1.5874     1.0392     0.6000     0.0000 
   N  12    1.5875     1.0393     0.6001     1.0393     1.2001     0.0000 
   O  13    2.3981     2.7482     2.6146     2.0781     2.1638     3.1174 
   C  14    3.5368     3.9509     3.8591     3.3281     3.3823     4.3674 

              O  13      C  14
              ----------------------
   O  13    0.0000 
   C  14    1.2500     0.0000 



ATOMIC CHARGES
   C   1    0.1384776456
   C   2    0.0365595209
   C   3   -0.0013872667
   C   4   -0.0234958936
   C   5    0.0081935704
   C   6    0.0347986483
   C   7    0.0276969674
   C   8    0.0266461576
   C   9    0.1266335988
   C  10    0.1914427510
   O  11   -0.2167423502
   N  12   -0.1298532372
   O  13   -0.4714364956
   C  14    0.2524663833


BOND ANGLES
   6    1   13  Car  Car   O3    120.241
   2    1    6  Car  Car  Car    120.001
   2    1   13  Car  Car   O3    119.758
   1    2    3  Car  Car  Car    120.001
   2    3    4  Car  Car  Car    119.999
   3    4    5  Car  Car  Car    120.001
   3    4    7  Car  Car   C3    119.999
   5    4    7  Car  Car   C3    120.001
   4    5    6  Car  Car  Car    120.001
   4    5   10  Car  Car   C3    120.001
   6    5   10  Car  Car   C3    119.999
   1    6    5  Car  Car  Car    119.999
   4    7    8  Car   C3   C3    119.999
   7    8    9   C3   C3   C3    120.001
   8    9   10   C3   C3   C3    120.001
   8    9   12   C3   C3   N3    119.996
  10    9   12   C3   C3   N3    120.003
   5   10    9  Car   C3   C3    119.999
   9   10   11   C3   C3   O3    120.001
   5   10   11  Car   C3   O3    120.001
   1   13   14  Car   O3   C3    150.242


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


CHIRAL ATOMS
   1    2    3    4      0.026
   1    2    3    4      0.026