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1-aminoindan
1-aminoindan ID: B187221
CAS:34698-41-4
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12c(CCC1N)cccc2	
FORMULA: C9H11N
MASS: 133.1903
EXACT MASS: 133.0891494
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7495     0.0000 
   C   3    0.7535     1.2135     0.0000 
   C   4    1.2147     0.7504     1.2125     0.0000 
   C   5    1.2186     1.2121     0.7546     0.7445     0.0000 
   N   6    1.3309     1.9330     0.7432     1.9340     1.3384     0.0000 
   C   7    0.7510     1.2976     1.3776     1.9241     1.9607     1.6946 
   C   8    1.3005     0.7543     1.9272     1.3751     1.9558     2.6088 
   C   9    1.3014     1.5008     2.0324     2.2408     2.4872     2.4352 
   C  10    1.5036     1.3041     2.2458     2.0308     2.4869     2.8108 

              C   7      C   8      C   9      C  10
              --------------------------------------------
   C   7    0.0000 
   C   8    1.4959     0.0000 
   C   9    0.7493     1.2945     0.0000 
   C  10    1.2965     0.7497     0.7464     0.0000 



ATOMIC CHARGES
   C   1   -0.0088740506
   C   2   -0.0247353675
   C   3    0.1140147196
   C   4    0.0279113410
   C   5    0.0281647257
   N   6   -0.1281194611
   C   7   -0.0031897608
   C   8   -0.0045327888
   C   9   -0.0002981143
   C  10   -0.0003412431


BOND ANGLES
   2    1    3  Car  Car   C3    107.694
   2    1    7  Car  Car  Car    119.718
   3    1    7   C3  Car  Car    132.588
   1    2    4  Car  Car   C3    108.172
   1    2    8  Car  Car  Car    119.732
   4    2    8   C3  Car  Car    132.096
   1    3    5  Car   C3   C3    107.816
   1    3    6  Car   C3   N3    125.545
   5    3    6   C3   C3   N3    126.639
   2    4    5  Car   C3   C3    108.358
   3    5    4   C3   C3   C3    107.962
   1    7    9  Car  Car  Car    120.310
   2    8   10  Car  Car  Car    120.245
   7    9   10  Car  Car  Car    120.182
   8   10    9  Car  Car  Car    119.813


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


CHIRAL ATOMS
   2    8   10    9      0.026