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2-Amino-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ol 1HCl salt
2-Amino-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ol 1HCl salt ID: B204019
CAS:118645-18-4
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1cc(c2c(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    2.1634     2.0785     1.5875     1.0393     1.2001     1.8000 
   C   9    2.0785     2.1634     1.8000     1.2001     1.0393     1.5875 
   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    1.5838     1.0357     0.5963     1.0363     1.5841     1.7963 
   C  14    1.6653     1.1566     1.3855     1.9842     2.3179     2.1888 

              C   7      C   8      C   9      C  10      O  11      N  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.6001     0.0000 
   C   9    1.0393     0.6000     0.0000 
   C  10    1.2000     1.0393     0.6001     0.0000 
   O  11    1.8000     1.5875     1.0393     0.6000     0.0000 
   N  12    1.5875     1.0392     0.6000     1.0393     1.2001     0.0000 
   O  13    1.1986     1.7987     2.1612     2.0755     2.6122     2.7476 
   C  14    2.3662     2.9490     3.1831     2.9103     3.3144     3.7828 

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



ATOMIC CHARGES
   C   1    0.0028475832
   C   2    0.0365534775
   C   3    0.1344645155
   C   4    0.0102730210
   C   5    0.0080741929
   C   6   -0.0019064756
   C   7    0.0307674786
   C   8    0.0267503962
   C   9    0.1266349360
   C  10    0.1914408013
   O  11   -0.2167423655
   N  12   -0.1298532314
   O  13   -0.4717553884
   C  14    0.2524510587


BOND ANGLES
   2    1    6  Car  Car  Car    120.001
   1    2    3  Car  Car  Car    120.001
   4    3   13  Car  Car   O3    120.058
   2    3    4  Car  Car  Car    119.999
   2    3   13  Car  Car   O3    119.943
   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    120.003
   7    8    9   C3   C3   C3    119.996
   8    9   10   C3   C3   C3    119.996
   8    9   12   C3   C3   N3    120.001
  10    9   12   C3   C3   N3    120.003
   5   10    9  Car   C3   C3    120.003
   9   10   11   C3   C3   O3    119.996
   5   10   11  Car   C3   O3    120.001
   3   13   14  Car   O3   C3     90.058


TORSION ANGLES
  13    3    4    5    179.974
  13    3    4    7      0.026
   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    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
   4    3   13   14    179.974
   2    3   13   14      0.026
   6    1    2    3      0.026
   1    2    3    4      0.026
   1    2    3   13    179.974


CHIRAL ATOMS
   1    2    3   13    179.974
   1    2    3   13    179.974