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2-Amino-indan-1-ol 1HCl salt
2-Amino-indan-1-ol 1HCl salt ID: B203990
CAS:910889-37-1
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12C(C(Cc1cccc2)N)O	
FORMULA: C9H11NO
MASS: 149.1897
EXACT MASS: 149.0840640
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6443     0.0000 
   C   3    0.6417     1.0410     0.0000 
   C   4    1.0422     0.6442     1.0422     0.0000 
   C   5    1.0410     1.0417     0.6443     0.6442     0.0000 
   N   6    1.6645     1.1460     1.6645     0.6417     1.1460     0.0000 
   O   7    1.1490     0.6443     1.6658     1.1475     1.6662     1.3994 
   C   8    0.6425     1.1734     1.1143     1.6753     1.6500     2.2809 
   C   9    1.1107     1.6470     0.6404     1.6737     1.1729     2.2797 
   C  10    1.1125     1.7366     1.2843     2.1284     1.9194     2.7645 
   C  11    1.2843     1.9194     1.1125     2.1284     1.7366     2.7645 

              O   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   O   7    0.0000 
   C   8    1.4510     0.0000 
   C   9    2.2402     1.2875     0.0000 
   C  10    2.0894     0.6460     1.1127     0.0000 
   C  11    2.4125     1.1163     0.6439     0.6417     0.0000 



ATOMIC CHARGES
   C   1    0.0052390241
   C   2    0.1916710717
   C   3   -0.0221916201
   C   4    0.1306124318
   C   5    0.0480678675
   N   6   -0.1295054878
   O   7   -0.2167320552
   C   8   -0.0021040929
   C   9   -0.0044531393
   C  10   -0.0002641678
   C  11   -0.0003398322


BOND ANGLES
   2    1    3   C3  Car  Car    108.083
   2    1    8   C3  Car  Car    131.528
   3    1    8  Car  Car  Car    120.389
   1    2    4  Car   C3   C3    107.963
   1    2    7  Car   C3   O3    126.167
   4    2    7   C3   C3   O3    125.870
   1    3    5  Car  Car   C3    108.083
   1    3    9  Car  Car  Car    120.065
   5    3    9   C3  Car  Car    131.852
   2    4    6   C3   C3   N3    126.046
   2    4    5   C3   C3   C3    107.902
   5    4    6   C3   C3   N3    126.052
   3    5    4  Car   C3   C3    107.968
   1    8   10  Car  Car  Car    119.407
   3    9   11  Car  Car  Car    120.054
   8   10   11  Car  Car  Car    120.205
   9   11   10  Car  Car  Car    119.882


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


CHIRAL ATOMS
   3    9   11   10      0.026
   3    9   11   10      0.026