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N-benzyl-4-chloropyridin-3-amine
N-benzyl-4-chloropyridin-3-amine
ID: Cs00337
CAS:1346534-45-9
Supplier:Clousem

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SMILES:n1ccc(c(c1)NCc1ccccc1)Cl	
FORMULA: C12H11ClN2
MASS: 218.6821
EXACT MASS: 218.0610760
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.5230     0.0000 
   C   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     1.5231     0.0000 
   C   6    1.5231     2.6379     3.0460     2.6379     1.5229     0.0000 
   N   7    4.0295     4.5690     4.0295     2.6379     1.5230     2.6379 
  Cl   8    4.5690     4.0294     2.6379     1.5229     2.6379     4.0294 
   C   9    4.5690     5.4912     5.2758     4.0295     2.6378     3.0459 
   C  10    6.0920     6.9793     6.6386     5.2759     4.0295     4.5689 
   C  11    6.9793     7.6150     6.9793     5.4913     4.5690     5.4912 
   C  12    8.4797     9.1380     8.4797     6.9793     6.0920     6.9792 
   C  13    9.1380     9.9869     9.5111     8.0589     6.9792     7.6149 
   C  14    8.4797     9.5111     9.2640     7.9137     6.6385     6.9792 
   C  15    6.9793     8.0589     7.9137     6.6386     5.2758     5.4912 

              N   7     Cl   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
  Cl   8    3.0460     0.0000 
   C   9    1.5230     4.5690     0.0000 
   C  10    2.6379     5.4913     1.5230     0.0000 
   C  11    3.0460     5.2759     2.6379     1.5230     0.0000 
   C  12    4.5690     6.6386     4.0295     2.6379     1.5230     0.0000 
   C  13    5.4912     7.9137     4.5690     3.0460     2.6378     1.5230 
   C  14    5.2758     8.0589     4.0295     2.6378     3.0459     2.6379 
   C  15    4.0295     6.9793     2.6379     1.5230     2.6379     3.0460 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    1.5230     0.0000 
   C  15    2.6379     1.5230     0.0000 



ATOMIC CHARGES
   N   1   -0.2409143612
   C   2    0.0998449789
   C   3    0.0333689618
   C   4    0.0755337098
   C   5    0.0953224581
   C   6    0.1157459247
   N   7   -0.2303904753
  Cl   8   -0.0807997929
   C   9    0.1386101199
   C  10   -0.0006562401
   C  11   -0.0025550557
   C  12   -0.0002682518
   C  13   -0.0000186687
   C  14   -0.0002682518
   C  15   -0.0025550557


BOND ANGLES
   2    1    6  Car  Nar  Car    120.000
   1    2    3  Nar  Car  Car    120.000
   2    3    4  Car  Car  Car    120.002
   3    4    5  Car  Car  Car    119.997
   3    4    8  Car  Car   Cl    120.002
   5    4    8  Car  Car   Cl    120.001
   4    5    6  Car  Car  Car    120.001
   4    5    7  Car  Car  Npl    119.997
   6    5    7  Car  Car  Npl    120.002
   1    6    5  Nar  Car  Car    120.000
   5    7    9  Car  Npl   C3    119.998
   7    9   10  Npl   C3  Car    120.003
   9   10   11   C3  Car  Car    119.997
   9   10   15   C3  Car  Car    120.003
  11   10   15  Car  Car  Car    120.000
  10   11   12  Car  Car  Car    120.002
  11   12   13  Car  Car  Car    119.998
  12   13   14  Car  Car  Car    120.000
  13   14   15  Car  Car  Car    120.002
  10   15   14  Car  Car  Car    119.998


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
   4    5    7    9    179.974
   6    5    7    9      0.026
   5    7    9   10    179.974
   7    9   10   11      0.026
   7    9   10   15    179.974
   9   10   11   12    179.974
  15   10   11   12      0.026
  10   11   12   13      0.026
  11   12   13   14      0.026
  12   13   14   15      0.026
  13   14   15   10      0.026
  14   15   10    9    179.974
  14   15   10   11      0.026