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(1S,2R)-(-)-cis-1-Aminoindan-2-ol
 (1S,2R)-(-)-cis-1-Aminoindan-2-ol
ID: BP-12265
CAS:126456-43-7
Supplier:BroadPharm

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SMILES:c12[C@@H]([C@@H](Cc1cccc2)O)N	
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    1.2294     0.0000 
   C   3    1.2750     2.0310     0.0000 
   C   4    2.0228     1.2923     2.0017     0.0000 
   C   5    2.0005     2.0125     1.2181     1.2085     0.0000 
   N   6    2.1749     1.2306     3.2190     2.2778     3.2137     0.0000 
   O   7    3.2369     2.2890     3.1873     1.2409     2.1589     2.8530 
   C   8    1.2657     2.2758     2.2006     3.2750     3.1968     2.7639 
   C   9    2.1717     3.1997     1.2493     3.2365     2.2763     4.3167 
   C  10    2.1917     3.3807     2.5356     4.1545     3.7309     4.0159 
   C  11    2.5356     3.7474     2.1917     4.1443     3.3766     4.6646 

              O   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   O   7    0.0000 
   C   8    4.4654     0.0000 
   C   9    4.3851     2.5084     0.0000 
   C  10    5.3917     1.2658     2.1718     0.0000 
   C  11    5.3620     2.2007     1.2494     1.2750     0.0000 



ATOMIC CHARGES
   C   1   -0.0063164215
   C   2    0.1442645050
   C   3   -0.0221032167
   C   4    0.1778386135
   C   5    0.0607959728
   N   6   -0.1254140857
   O   7   -0.2208690555
   C   8   -0.0031081267
   C   9   -0.0044508726
   C  10   -0.0002970886
   C  11   -0.0003402238


BOND ANGLES
   2    1    3   C3  Car  Car    108.373
   2    1    8   C3  Car  Car    131.598
   3    1    8  Car  Car  Car    120.029
   1    2    4  Car   C3   C3    106.648
   1    2    6  Car   C3   N3    124.291
   4    2    6   C3   C3   N3    129.061
   1    3    5  Car  Car   C3    106.699
   1    3    9  Car  Car  Car    118.703
   5    3    9   C3  Car  Car    134.599
   2    4    7   C3   C3   O3    129.259
   2    4    5   C3   C3   C3    107.125
   5    4    7   C3   C3   O3    123.616
   3    5    4  Car   C3   C3    111.155
   1    8   10  Car  Car  Car    119.944
   3    9   11  Car  Car  Car    122.597
   8   10   11  Car  Car  Car    120.027
   9   11   10  Car  Car  Car    118.700


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


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