Sign In Join Free

Products Information

N-benzyl-4-bromopyridin-2-amine
N-benzyl-4-bromopyridin-2-amine
ID: Cs00332
CAS:1209457-90-8
Supplier:Clousem

Get a quote


SMILES:c1cnc(cc1Br)NCc1ccccc1	
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 
   N   7    4.5637     4.0245     2.6334     1.5178     2.6334     4.0246 
  Br   8    2.6333     4.0245     4.5637     4.0245     2.6333     1.5177 
   C   9    5.4861     5.2712     4.0255     2.6333     3.0407     4.5637 
   C  10    6.9741     6.6338     5.2713     4.0245     4.5637     6.0868 
   C  11    7.6097     6.9741     5.4862     4.5637     5.4862     6.9741 
   C  12    9.1327     8.4744     6.9741     6.0867     6.9741     8.4745 
   C  13    9.9817     9.5060     8.0540     6.9741     7.6097     9.1328 
   C  14    9.5060     9.2593     7.9092     6.6338     6.9741     8.4745 
   C  15    8.0539     7.9091     6.6343     5.2712     5.4861     6.9741 

              N   7     Br   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
  Br   8    5.2667     0.0000 
   C   9    1.5230     5.4825     0.0000 
   C  10    2.6379     6.9707     1.5230     0.0000 
   C  11    3.0460     8.0500     2.6379     1.5230     0.0000 
   C  12    4.5689     9.5023     4.0295     2.6379     1.5230     0.0000 
   C  13    5.4912     9.9786     4.5690     3.0460     2.6379     1.5230 
   C  14    5.2758     9.1301     4.0295     2.6379     3.0460     2.6379 
   C  15    4.0294     7.6071     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    0.0274656630
   C   2    0.1008683837
   N   3   -0.2276811340
   C   4    0.1483199051
   C   5    0.0424846748
   C   6    0.0389384324
   N   7   -0.2154311694
  Br   8   -0.0488539122
   C   9    0.1401567160
   C  10   -0.0006036294
   C  11   -0.0025543816
   C  12   -0.0002682491
   C  13   -0.0000186687
   C  14   -0.0002682491
   C  15   -0.0025543816


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


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