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N-benzyl-5-bromopyridin-3-amine
N-benzyl-5-bromopyridin-3-amine
ID: Cs00334
CAS:1194688-12-4
Supplier:Clousem

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SMILES:c1(cncc(c1)NCc1ccccc1)Br	
FORMULA: C12H11BrN2
MASS: 263.1331
EXACT MASS: 262.0105604
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 
  Br   7    1.5177     2.6333     4.0245     4.5637     4.0244     2.6333 
   N   8    4.0245     4.5637     4.0245     2.6334     1.5178     2.6333 
   C   9    5.2713     5.4862     4.5637     3.0408     2.6334     4.0255 
   C  10    6.6338     6.9741     6.0867     4.5637     4.0245     5.2712 
   C  11    7.9092     8.0540     6.9741     5.4862     5.2713     6.6343 
   C  12    9.2593     9.5060     8.4744     6.9741     6.6338     7.9091 
   C  13    9.5060     9.9817     9.1327     7.6097     6.9741     8.0539 
   C  14    8.4745     9.1328     8.4745     6.9741     6.0868     6.9741 
   C  15    6.9741     7.6097     6.9741     5.4862     4.5637     5.4861 

             Br   7      N   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
  Br   7    0.0000 
   N   8    5.2666     0.0000 
   C   9    6.6295     1.5230     0.0000 
   C  10    7.9045     2.6379     1.5230     0.0000 
   C  11    9.2549     4.0295     2.6379     1.5230     0.0000 
   C  12   10.5424     5.2758     4.0294     2.6379     1.5230     0.0000 
   C  13   10.6518     5.4912     4.5689     3.0460     2.6379     1.5230 
   C  14    9.5022     4.5690     4.0295     2.6379     3.0460     2.6379 
   C  15    8.0499     3.0460     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
   C   1    0.0549930069
   C   2    0.1056091469
   N   3   -0.2404546019
   C   4    0.1149216916
   C   5    0.0853122329
   C   6    0.0259273165
  Br   7   -0.0473388367
   N   8   -0.2312266105
   C   9    0.1385785925
   C  10   -0.0006566514
   C  11   -0.0025550573
   C  12   -0.0002682518
   C  13   -0.0000186687
   C  14   -0.0002682518
   C  15   -0.0025550573


BOND ANGLES
   2    1    6  Car  Car  Car    119.999
   2    1    7  Car  Car   Br    120.003
   6    1    7  Car  Car   Br    119.998
   1    2    3  Car  Car  Nar    119.999
   2    3    4  Car  Nar  Car    120.000
   3    4    5  Nar  Car  Car    120.001
   4    5    6  Car  Car  Car    120.001
   4    5    8  Car  Car  Npl    120.001
   6    5    8  Car  Car  Npl    119.998
   1    6    5  Car  Car  Car    120.000
   5    8    9  Car  Npl   C3    120.000
   8    9   10  Npl   C3  Car    120.000
   9   10   11   C3  Car  Car    120.000
   9   10   15   C3  Car  Car    120.001
  11   10   15  Car  Car  Car    119.999
  10   11   12  Car  Car  Car    120.000
  11   12   13  Car  Car  Car    120.001
  12   13   14  Car  Car  Car    120.001
  13   14   15  Car  Car  Car    120.000
  10   15   14  Car  Car  Car    119.999


TORSION ANGLES
   6    1    2    3      0.026
   7    1    2    3    179.974
   1    2    3    4      0.026
   2    3    4    5      0.026
   3    4    5    6      0.026
   3    4    5    8    179.974
   4    5    6    1      0.026
   8    5    6    1    179.974
   5    6    1    2      0.026
   5    6    1    7    179.974
   4    5    8    9      0.026
   6    5    8    9    179.974
   5    8    9   10    179.974
   8    9   10   11    179.974
   8    9   10   15      0.026
   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