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(1R,2R)-1-aminoindan-2-ol
(1R,2R)-1-aminoindan-2-ol ID: AN-31142
CAS:163061-73-2
Supplier:AN PharmaTech Co Ltd

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SMILES:O[C@H]1[C@H](N)c2c(C1)cccc2	6931154
FORMULA: C9H11NO
MASS: 149.1897
EXACT MASS: 149.0840640
INTERATOMIC DISTANCES

              O   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   N   2    2.1683     0.0000 
   C   3    1.7764     1.0000     0.0000 
   C   4    1.0000     1.7764     0.9941     0.0000 
   C   5    1.7763     2.5788     1.6095     0.9940     0.0000 
   C   6    2.5788     1.7764     0.9942     1.6095     1.6117     0.0000 
   C   7    2.5788     2.5819     1.6118     1.6095     0.9941     1.0000 
   C   8    3.5401     2.2533     1.8228     2.5962     2.5576     1.0000 
   C   9    3.5401     3.4783     2.5577     2.5962     1.8228     1.7320 
   C  10    4.2911     3.2418     2.6956     3.3000     2.9792     1.7320 
   C  11    4.2911     3.7443     2.9792     3.3000     2.6956     2.0000 
   H  12    1.3247     0.9061     0.6200     0.9015     1.8123     1.6096 
   H  13    0.9061     2.3733     1.6095     0.6200     0.9014     2.0950 
   H  14    2.2907     3.1769     2.1908     1.6056     0.6200     1.9965 
   H  15    1.5282     2.8781     1.9925     1.1149     0.6199     2.1922 
   H  16    3.7625     2.1272     1.9872     2.8922     3.0271     1.4158 
   H  17    3.7625     3.9874     3.0272     2.8922     1.9872     2.2901 
   H  18    1.9976     0.6200     1.4158     1.9125     2.8401     2.3208 
   H  19    2.7857     0.6200     1.4158     2.3208     3.0233     1.9126 
   H  20    0.6200     2.7857     2.3207     1.4158     1.9124     3.0233 
   H  21    4.8667     3.6503     3.2152     3.8842     3.5979     2.2900 
   H  22    4.8667     4.3603     3.5979     3.8842     3.2152     2.6199 

              C   7      C   8      C   9      C  10      C  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    1.0000     2.0000     0.0000 
   C  10    2.0000     1.0000     1.7320     0.0000 
   C  11    1.7320     1.7320     1.0000     1.0000     0.0000 
   H  12    2.0959     2.4268     3.0811     3.3151     3.5766     0.0000 
   H  13    1.8124     3.0950     2.7148     3.6965     3.5440     1.4751 
   H  14    1.1149     2.8393     1.6048     3.0650     2.5790     2.4312 
   H  15    1.6056     3.1606     2.3524     3.5979     3.2737     2.0163 
   H  16    2.2901     0.6200     2.6200     1.4158     2.2901     2.5292 
   H  17    1.4158     2.6200     0.6200     2.2901     1.4158     3.4979 
   H  18    3.0253     2.8689     3.9703     3.8525     4.3137     1.0284 
   H  19    2.8446     2.0978     3.6425     3.0948     3.7431     1.4979 
   H  20    2.8401     4.0120     3.7347     4.6880     4.5720     1.9258 
   H  21    2.6199     1.4157     2.2900     0.6200     1.4158     3.8288 
   H  22    2.2900     2.2900     1.4157     1.4158     0.6200     4.1927 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    1.3848     0.0000 
   H  15    0.6504     0.8294     0.0000 
   H  16    3.4480     3.3745     3.6048     0.0000 
   H  17    2.8826     1.5808     2.4035     3.2400     0.0000 
   H  18    2.4361     3.4582     3.0211     2.7423     4.4411     0.0000 
   H  19    2.9336     3.5914     3.3918     1.8101     4.2002     1.0738 
   H  20    1.0284     2.3014     1.4739     4.2879     3.8609     2.6096 
   H  21    4.3019     3.6804     4.2169     1.6199     2.8059     4.2696 
   H  22    4.0886     3.0168     3.7648     2.8059     1.6199     4.9326 

              H  19      H  20      H  21      H  22
              --------------------------------------------
   H  19    0.0000 
   H  20    3.4016     0.0000 
   H  21    3.4150     5.2834     0.0000 
   H  22    4.3411     5.1161     1.6200     0.0000 



ATOMIC CHARGES
   O   1   -0.3895940123
   N   2   -0.3215460403
   C   3    0.0572282271
   C   4    0.0783833193
   C   5    0.0005379911
   C   6   -0.0249326490
   C   7   -0.0401252533
   C   8   -0.0567430918
   C   9   -0.0581811856
   C  10   -0.0614342101
   C  11   -0.0614825236
   H  12    0.0533707937
   H  13    0.0615271610
   H  14    0.0338850440
   H  15    0.0338850440
   H  16    0.0620882012
   H  17    0.0620388012
   H  18    0.1188447466
   H  19    0.1188447466
   H  20    0.2098709532
   H  21    0.0617672780
   H  22    0.0617666592


BOND ANGLES
   4    1   20   C3   O3   HO    120.002
   3    2   18   C3   N3   HC    120.000
   3    2   19   C3   N3   HC    120.009
  18    2   19   HC   N3   HC    119.990
   2    3    4   N3   C3   C3    125.956
   2    3    6   N3   C3  Car    125.950
   2    3   12   N3   C3   HC     62.978
   4    3    6   C3   C3  Car    108.094
   4    3   12   C3   C3   HC     62.978
   6    3   12  Car   C3   HC    171.072
   1    4    3   O3   C3   C3    125.948
   1    4    5   O3   C3   C3    125.951
   1    4   13   O3   C3   HC     62.976
   3    4    5   C3   C3   C3    108.101
   3    4   13   C3   C3   HC    171.076
   5    4   13   C3   C3   HC     62.975
   4    5    7   C3   C3  Car    108.103
   4    5   14   C3   C3   HC    167.939
   4    5   15   C3   C3   HC     83.968
   7    5   14  Car   C3   HC     83.958
   7    5   15  Car   C3   HC    167.929
  14    5   15   HC   C3   HC     83.971
   3    6    7   C3  Car  Car    107.854
   3    6    8   C3  Car  Car    132.146
   7    6    8  Car  Car  Car    120.001
   5    7    6   C3  Car  Car    107.848
   5    7    9   C3  Car  Car    132.151
   6    7    9  Car  Car  Car    120.001
   6    8   10  Car  Car  Car    119.999
   6    8   16  Car  Car   HC    120.001
  10    8   16  Car  Car   HC    120.001
   7    9   11  Car  Car  Car    119.999
   7    9   17  Car  Car   HC    120.001
  11    9   17  Car  Car   HC    120.001
   8   10   11  Car  Car  Car    120.001
   8   10   21  Car  Car   HC    119.998
  11   10   21  Car  Car   HC    120.002
   9   11   10  Car  Car  Car    120.001
   9   11   22  Car  Car   HC    119.998
  10   11   22  Car  Car   HC    120.002


TORSION ANGLES
   3    4    1   20    179.974
   5    4    1   20      0.026
  13    4    1   20      0.026
   4    3    2   18      0.026
   4    3    2   19    179.974
   6    3    2   18    179.974
   6    3    2   19      0.026
  12    3    2   18      0.026
  12    3    2   19    179.974
   2    3    4    1      0.026
   2    3    4    5    179.974
   2    3    4   13    179.974
   6    3    4    1    179.974
   6    3    4    5      0.026
   6    3    4   13      0.026
  12    3    4    1      0.026
  12    3    4    5    179.974
  12    3    4   13    179.974
   2    3    6    7    179.974
   2    3    6    8      0.026
   4    3    6    7      0.026
   4    3    6    8    179.974
  12    3    6    7      0.026
  12    3    6    8    179.974
   1    4    5    7    179.974
   1    4    5   14      0.026
   1    4    5   15      0.026
   3    4    5    7      0.026
   3    4    5   14    179.974
   3    4    5   15    179.974
  13    4    5    7    179.974
  13    4    5   14      0.026
  13    4    5   15      0.026
   4    5    7    6      0.026
   4    5    7    9    179.974
  14    5    7    6    179.974
  14    5    7    9      0.026
  15    5    7    6    179.974
  15    5    7    9      0.026
   3    6    7    5      0.026
   3    6    7    9    179.974
   8    6    7    5    179.974
   8    6    7    9      0.026
   3    6    8   10    179.974
   3    6    8   16      0.026
   7    6    8   10      0.026
   7    6    8   16    179.974
   5    7    9   11    179.974
   5    7    9   17      0.026
   6    7    9   11      0.026
   6    7    9   17    179.974
   6    8   10   11      0.026
   6    8   10   21    179.974
  16    8   10   11    179.974
  16    8   10   21      0.026
   7    9   11   10      0.026
   7    9   11   22    179.974
  17    9   11   10    179.974
  17    9   11   22      0.026
   8   10   11    9      0.026
   8   10   11   22    179.974
  21   10   11    9    179.974
  21   10   11   22      0.026


CHIRAL ATOMS
  21   10   11   22      0.026
  21   10   11   22      0.026