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2-Amino-1-o-tolyl-ethanol 1HCl salt
2-Amino-1-o-tolyl-ethanol 1HCl salt ID: B204067
CAS:133562-34-2
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(c(C)cccc1)C(O)CN	
FORMULA: C9H13NO
MASS: 151.2056
EXACT MASS: 151.0997140
INTERATOMIC DISTANCES

              C   1      C   2      C   3      N   4      O   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6010     0.0000 
   C   3    0.5954     1.0375     0.0000 
   N   4    1.5821     2.0750     1.0375     0.0000 
   O   5    1.0342     1.1965     0.6000     1.1985     0.0000 
   C   6    0.6000     1.0398     1.0342     1.7939     1.5826     0.0000 
   C   7    1.0334     1.5829     0.5954     0.5990     1.0342     1.1950 
   C   8    1.0363     0.5959     1.1985     2.1600     1.0375     1.5840 
   C   9    1.0416     0.6010     1.5861     2.6126     1.7975     1.2021 
   C  10    1.0398     1.2000     1.5832     2.3950     2.0740     0.6010 
   C  11    1.2021     1.0398     1.7975     2.7461     2.1601     1.0416 

              C   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    1.7939     0.0000 
   C   9    2.0750     1.0363     0.0000 
   C  10    1.7960     1.7959     1.0398     0.0000 
   C  11    2.1600     1.5840     0.6000     0.6010     0.0000 



ATOMIC CHARGES
   C   1    0.0052423638
   C   2   -0.0234032768
   C   3    0.1928786916
   N   4   -0.1282188955
   O   5   -0.2166904670
   C   6   -0.0021040462
   C   7    0.1466127046
   C   8    0.0307771734
   C   9   -0.0044897980
   C  10   -0.0002641694
   C  11   -0.0003402805


BOND ANGLES
   2    1    3  Car  Car   C3    120.258
   2    1    6  Car  Car  Car    119.944
   3    1    6   C3  Car  Car    119.799
   1    2    8  Car  Car   C3    119.944
   1    2    9  Car  Car  Car    120.113
   8    2    9   C3  Car  Car    119.944
   1    3    5  Car   C3   O3    119.799
   1    3    7  Car   C3   C3    120.403
   5    3    7   O3   C3   C3    119.799
   1    6   10  Car  Car  Car    119.944
   3    7    4   C3   C3   N3    120.598
   2    9   11  Car  Car  Car    119.944
   6   10   11  Car  Car  Car    120.113
   9   11   10  Car  Car  Car    119.944


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


CHIRAL ATOMS
   6   10   11    9      0.026