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3-chloro-N-cyclopropylpyridin-2-amine
3-chloro-N-cyclopropylpyridin-2-amine
ID: Cs00329
CAS:1036588-91-6
Supplier:Clousem

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SMILES:c1cnc(c(c1)Cl)NC1CC1	
FORMULA: C8H9ClN2
MASS: 168.6235
EXACT MASS: 168.0454260
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5230     0.0000 
   N   3    2.6379     1.5230     0.0000 
   C   4    3.0460     2.6379     1.5230     0.0000 
   C   5    2.6379     3.0460     2.6379     1.5230     0.0000 
   C   6    1.5230     2.6379     3.0460     2.6379     1.5230     0.0000 
  Cl   7    4.0295     4.5690     4.0295     2.6379     1.5230     2.6380 
   N   8    4.5690     4.0295     2.6380     1.5230     2.6379     4.0295 
   C   9    5.4912     5.2758     4.0295     2.6379     3.0460     4.5690 
   C  10    6.8407     6.7584     5.5497     4.1279     4.2612     5.7477 
   C  11    5.6702     5.8577     4.8905     3.3701     3.0325     4.4265 

             Cl   7      N   8      C   9      C  10      C  11
              -------------------------------------------------------
  Cl   7    0.0000 
   N   8    3.0460     0.0000 
   C   9    2.6379     1.5230     0.0000 
   C  10    3.3701     3.0199     1.5230     0.0000 
   C  11    1.8964     2.8141     1.5230     1.5230     0.0000 



ATOMIC CHARGES
   C   1    0.0216409915
   C   2    0.1004207155
   N   3   -0.2268487700
   C   4    0.1580558861
   C   5    0.0906008235
   C   6    0.0158597619
  Cl   7   -0.0792800937
   N   8   -0.2213883937
   C   9    0.0941766968
   C  10    0.0233811910
   C  11    0.0233811910


BOND ANGLES
   2    1    6  Car  Car  Car    120.001
   1    2    3  Car  Car  Nar    120.001
   2    3    4  Car  Nar  Car    120.000
   3    4    5  Nar  Car  Car    119.999
   3    4    8  Nar  Car  Npl    120.002
   5    4    8  Car  Car  Npl    119.999
   4    5    6  Car  Car  Car    119.999
   4    5    7  Car  Car   Cl    119.999
   6    5    7  Car  Car   Cl    120.002
   1    6    5  Car  Car  Car    120.000
   4    8    9  Car  Npl   C3    120.000
   8    9   10  Npl   C3   C3    165.000
   8    9   11  Npl   C3   C3    135.002
  10    9   11   C3   C3   C3     59.999
   9   10   11   C3   C3   C3     60.001
   9   11   10   C3   C3   C3     60.001


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