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aminourea hydrochloride
aminourea hydrochloride ID: AN-23700
CAS:563-41-7
Supplier:AN PharmaTech Co Ltd

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SMILES:Cl.O=C(NN)N	11236
FORMULA: CH6ClN3O
MASS: 111.5308
EXACT MASS: 111.0199395
INTERATOMIC DISTANCES

             Cl   1      O   2      N   3      N   4      N   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   O   2    4.7133     0.0000 
   N   3    3.1207     1.7320     0.0000 
   N   4    3.7071     2.0000     1.0001     0.0000 
   N   5    3.6015     1.7320     1.7320     2.6458     0.0000 
   C   6    3.7383     1.0000     1.0000     1.7321     1.0000     0.0000 
   H   7    2.5009     2.2901     0.6200     1.4158     1.8396     1.4158 
   H   8    3.5695     2.6200     1.4158     0.6200     3.1408     2.2901 
   H   9    4.3146     1.7733     1.4158     0.6200     2.8292     1.8397 
   H  10    4.1499     1.8397     2.2901     3.1409     0.6201     1.4158 
   H  11    3.0800     2.2901     1.8396     2.8292     0.6200     1.4158 
   H  12    1.0000     4.6205     3.2565     4.0424     3.2207     3.6206 

              H   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   H   7    0.0000 
   H   8    1.6200     0.0000 
   H   9    1.9436     1.0739     0.0000 
   H  10    2.4522     3.6740     3.2380     0.0000 
   H  11    1.7320     3.2380     3.1269     1.0739     0.0000 
   H  12    2.6684     4.0513     4.6059     3.6810     2.6246     0.0000 




ATOMIC CHARGES
  Cl   1   -0.1453996612
   O   2   -0.2517551338
   N   3   -0.2376024809
   N   4   -0.2531510358
   N   5   -0.3123612405
   C   6    0.3105596817
   H   7    0.1702726644
   H   8    0.1405041471
   H   9    0.1405041471
   H  10    0.1465146253
   H  11    0.1465146253
   H  12    0.1453996612


BOND ANGLES
   4    3    6   N3  Nam   C2    120.001
   4    3    7   N3  Nam   HC    119.998
   6    3    7   C2  Nam   HC    120.001
   3    4    8  Nam   N3   HC    120.000
   3    4    9  Nam   N3   HC    119.998
   8    4    9   HC   N3   HC    120.002
   6    5   10   C2  Nam   HC    120.002
   6    5   11   C2  Nam   HC    120.001
  10    5   11   HC  Nam   HC    119.997
   2    6    3   O2   C2  Nam    120.001
   2    6    5   O2   C2  Nam    120.001
   3    6    5  Nam   C2  Nam    119.999


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