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2-(methylamino)propanenitrile hydrochloride
2-(methylamino)propanenitrile hydrochloride ID: AN-27107
CAS:856812-41-4
Supplier:AN PharmaTech Co Ltd

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SMILES:Cl.N(C(C)C#N)C	45792251
FORMULA: C4H9ClN2
MASS: 120.5807
EXACT MASS: 120.0454260
INTERATOMIC DISTANCES

             Cl   1      N   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   N   2    4.7486     0.0000 
   N   3    5.3353     2.6458     0.0000 
   C   4    4.1265     1.0001     2.0000     0.0000 
   C   5    3.1286     1.7321     2.6457     1.0000     0.0000 
   C   6    4.5640     1.0000     3.6055     1.7321     2.0000     0.0000 
   C   7    4.6634     1.7321     1.0000     1.0000     1.7320     2.6458 
   H   8    4.7456     0.8744     1.7732     0.6200     1.6200     1.8397 
   H   9    5.3537     0.6200     2.6009     1.4158     2.2901     1.4158 
   H  10    3.1441     2.1115     2.2883     1.1766     0.6200     2.5559 
   H  11    2.5107     2.2901     3.1407     1.6200     0.6200     2.3716 
   H  12    3.2341     1.5200     3.0875     1.1767     0.6201     1.4955 
   H  13    3.9463     1.1766     3.5086     1.5201     1.4956     0.6200 
   H  14    4.5573     1.6199     4.2100     2.2901     2.3716     0.6200 
   H  15    5.1823     1.1766     3.8024     2.1115     2.5558     0.6200 
   H  16    1.0000     4.6210     5.6980     4.1911     3.2133     4.2312 

              C   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   H   8    0.8743     0.0000 
   H   9    1.8397     1.0001     0.0000 
   H  10    1.5200     1.7346     2.5890     0.0000 
   H  11    2.2901     2.2400     2.8736     0.8768     0.0000 
   H  12    2.1115     1.7346     2.1342     1.2401     0.8769     0.0000 
   H  13    2.5121     1.8332     1.7477     2.0940     1.7876     0.9261 
   H  14    3.2380     2.4522     2.0033     2.9703     2.6200     1.7874 
   H  15    2.9083     2.0438     1.3126     3.0739     2.9703     2.0938 
   H  16    4.9006     4.8019     5.2409     3.4150     2.6155     3.1235 

              H  13      H  14      H  15      H  16
              --------------------------------------------
   H  13    0.0000 
   H  14    0.8768     0.0000 
   H  15    1.2399     0.8768     0.0000 
   H  16    3.6422     4.0948     4.8279     0.0000 



ATOMIC CHARGES
  Cl   1   -0.1453996612
   N   2   -0.3047841100
   N   3   -0.1949281892
   C   4    0.0925482851
   C   5   -0.0364126378
   C   6   -0.0146694894
   C   7    0.0809848335
   H   8    0.0615223451
   H   9    0.1228100155
   H  10    0.0254665686
   H  11    0.0254665686
   H  12    0.0254665686
   H  13    0.0388430805
   H  14    0.0388430805
   H  15    0.0388430805
   H  16    0.1453996612


BOND ANGLES
   4    2    6   C3   N3   C3    120.001
   4    2    9   C3   N3   HC    119.998
   6    2    9   C3   N3   HC    120.001
   2    4    5   N3   C3   C3    119.998
   2    4    7   N3   C3   C1    120.001
   2    4    8   N3   C3   HC     60.002
   5    4    7   C3   C3   C1    120.001
   5    4    8   C3   C3   HC    179.974
   7    4    8   C1   C3   HC     59.999
   4    5   10   C3   C3   HC     90.000
   4    5   11   C3   C3   HC    179.974
   4    5   12   C3   C3   HC     90.000
  10    5   11   HC   C3   HC     90.000
  10    5   12   HC   C3   HC    179.974
  11    5   12   HC   C3   HC     90.000
   2    6   13   N3   C3   HC     89.999
   2    6   14   N3   C3   HC    179.974
   2    6   15   N3   C3   HC     90.001
  13    6   14   HC   C3   HC     90.000
  13    6   15   HC   C3   HC    179.974
  14    6   15   HC   C3   HC     90.000
   3    7    4   N1   C1   C3    179.974


TORSION ANGLES
   6    2    4    5      0.026
   6    2    4    7    179.974
   6    2    4    8    179.974
   9    2    4    5    179.974
   9    2    4    7      0.026
   9    2    4    8      0.026
   4    2    6   13      0.026
   4    2    6   14      0.026
   4    2    6   15    179.974
   9    2    6   13    179.974
   9    2    6   14    179.974
   9    2    6   15      0.026
   2    4    5   10    179.974
   2    4    5   11    180.000
   2    4    5   12      0.026
   7    4    5   10      0.026
   7    4    5   11    180.000
   7    4    5   12    179.974
   8    4    5   10    180.000
   8    4    5   11    180.000
   8    4    5   12    180.000
   2    4    7    3    180.000
   5    4    7    3    180.000
   8    4    7    3    180.000


CHIRAL ATOMS
   8    4    7    3    180.000