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(6-bromo-3-pyridyl)methanamine hydrochloride
(6-bromo-3-pyridyl)methanamine hydrochloride ID: AN-27113
CAS:857220-13-4
Supplier:AN PharmaTech Co Ltd

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SMILES:Brc1ncc(CN)cc1.Cl	53414918
FORMULA: C6H8BrClN2
MASS: 223.4981
EXACT MASS: 221.9559379
INTERATOMIC DISTANCES

             Br   1     Cl   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
  Br   1    0.0000 
  Cl   2    5.0083     0.0000 
   N   3    4.5826     3.9342     0.0000 
   N   4    1.7320     4.6244     3.0000     0.0000 
   C   5    3.0000     3.1900     1.7320     1.7321     0.0000 
   C   6    4.0000     3.0343     1.0000     2.6458     1.0000     0.0000 
   C   7    2.6457     2.6277     2.6458     2.0000     1.0001     1.7321 
   C   8    2.6458     4.1733     2.0000     1.0001     1.0000     1.7320 
   C   9    1.7320     3.2976     3.4641     1.7320     1.7321     2.6458 
   C  10    1.0000     4.2560     3.6055     1.0000     2.0000     3.0000 
   H  11    4.5875     2.8849     1.0813     3.2657     1.5967     0.6200 
   H  12    3.9400     2.4254     1.5967     2.8114     1.0813     0.6200 
   H  13    3.1407     2.0101     2.8292     2.6200     1.4158     1.8397 
   H  14    3.1408     4.5900     1.7732     1.4158     1.4158     1.8397 
   H  15    1.8397     3.2358     4.0130     2.2900     2.2901     3.1408 
   H  16    5.1928     4.0623     0.6201     3.6201     2.2901     1.4158 
   H  17    4.4186     4.4420     0.6200     2.7431     1.8396     1.4158 
   H  18    5.4726     1.0000     3.4183     4.7737     3.1380     2.6732 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7321     0.0000 
   C   9    1.0000     2.0000     0.0000 
   C  10    1.7320     1.7321     1.0000     0.0000 
   H  11    2.1829     2.3451     3.1512     3.5889     0.0000 
   H  12    1.4157     2.0296     2.4060     2.9562     0.7970     0.0000 
   H  13    0.6200     2.2901     1.4158     2.2901     2.1355     1.3415 
   H  14    2.2901     0.6200     2.6200     2.2901     2.3980     2.2861 
   H  15    1.4157     2.6200     0.6200     1.4158     3.5955     2.8161 
   H  16    3.1409     2.6200     4.0131     4.2101     1.2047     1.9203 
   H  17    2.8292     1.7732     3.5191     3.4849     1.6621     2.0354 
   H  18    2.8824     4.1336     3.7429     4.6097     2.3376     2.1491 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    2.8059     0.0000 
   H  15    1.6199     3.2400     0.0000 
   H  16    3.2380     2.3716     4.5380     0.0000 
   H  17    3.1269     1.3800     4.1077     1.0739     0.0000 
   H  18    2.3332     4.4346     3.8313     3.4110     3.9923     0.0000 




ATOMIC CHARGES
  Br   1   -0.0287220036
  Cl   2   -0.1453996612
   N   3   -0.3260644525
   N   4   -0.2479334364
   C   5   -0.0156364729
   C   6    0.0199872439
   C   7   -0.0534092890
   C   8    0.0332168707
   C   9   -0.0289814810
   C  10    0.1062556799
   H  11    0.0471749766
   H  12    0.0471749766
   H  13    0.0621958822
   H  14    0.0832949437
   H  15    0.0644079539
   H  16    0.1185193040
   H  17    0.1185193040
   H  18    0.1453996612


BOND ANGLES
   6    3   16   C3   N3   HC    120.002
   6    3   17   C3   N3   HC    120.001
  16    3   17   HC   N3   HC    119.997
   8    4   10  Car  Nar  Car    120.001
   6    5    7   C3  Car  Car    120.001
   6    5    8   C3  Car  Car    120.001
   7    5    8  Car  Car  Car    119.998
   3    6    5   N3   C3  Car    119.999
   3    6   11   N3   C3   HC     80.006
   3    6   12   N3   C3   HC    159.996
   5    6   11  Car   C3   HC    159.996
   5    6   12  Car   C3   HC     80.006
  11    6   12   HC   C3   HC     79.990
   5    7    9  Car  Car  Car    120.001
   5    7   13  Car  Car   HC    119.998
   9    7   13  Car  Car   HC    120.001
   4    8    5  Nar  Car  Car    119.998
   4    8   14  Nar  Car   HC    120.000
   5    8   14  Car  Car   HC    120.002
   7    9   10  Car  Car  Car    120.001
   7    9   15  Car  Car   HC    119.998
  10    9   15  Car  Car   HC    120.002
   1   10    4   Br  Car  Nar    119.999
   1   10    9   Br  Car  Car    120.001
   4   10    9  Nar  Car  Car    120.001


TORSION ANGLES
  16    3    6    5    179.974
  16    3    6   11      0.026
  16    3    6   12      0.026
  17    3    6    5      0.026
  17    3    6   11    179.974
  17    3    6   12    179.974
  10    4    8    5      0.026
  10    4    8   14    179.974
   8    4   10    1    179.974
   8    4   10    9      0.026
   7    5    6    3    179.974
   7    5    6   11      0.026
   7    5    6   12      0.026
   8    5    6    3      0.026
   8    5    6   11    179.974
   8    5    6   12    179.974
   6    5    7    9    179.974
   6    5    7   13      0.026
   8    5    7    9      0.026
   8    5    7   13    179.974
   6    5    8    4    179.974
   6    5    8   14      0.026
   7    5    8    4      0.026
   7    5    8   14    179.974
   5    7    9   10      0.026
   5    7    9   15    179.974
  13    7    9   10    179.974
  13    7    9   15      0.026
   7    9   10    1    179.974
   7    9   10    4      0.026
  15    9   10    1      0.026
  15    9   10    4    179.974