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Glycinexylidine
Glycinexylidine ID: B187325
CAS:18865-38-8
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(NC(=O)CN)c(cccc1C)C	
FORMULA: C10H14N2O
MASS: 178.2310
EXACT MASS: 178.1106131
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.8233     0.0000 
   C   3    1.4250     0.8212     0.0000 
   C   4    0.8333     1.4352     1.6529     0.0000 
   C   5    0.8269     1.4292     2.1803     1.4372     0.0000 
   O   6    1.6466     1.4280     0.8292     1.4250     2.4735     0.0000 
   N   7    2.8583     2.1828     1.4333     2.9808     3.5973     1.6600 
   C   8    2.1777     1.4250     0.8233     2.4762     2.8542     1.4316 
   C   9    1.6544     2.4777     2.9745     1.4292     1.4352     2.8542 
   C  10    1.4292     2.1826     2.8542     1.6502     0.8275     2.9687 
   C  11    1.4372     2.1892     2.4798     0.8269     1.6583     2.1826 
   C  12    1.4352     1.6583     1.4388     0.8233     2.1892     0.8275 
   C  13    1.4342     1.6574     2.4786     2.1940     0.8250     2.9793 

              N   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   C   8    0.8264     0.0000 
   C   9    4.3701     3.7794     0.0000 
   C  10    4.2876     3.5919     0.8250     0.0000 
   C  11    3.7900     3.3031     0.8233     1.4280     0.0000 
   C  12    2.4875     2.1896     2.1811     2.4735     1.4292     0.0000 
   C  13    3.7869     2.9779     2.1873     1.4311     2.4833     2.8694 

              C  13
              -----------
   C  13    0.0000 



ATOMIC CHARGES
   C   1    0.0654415495
   N   2   -0.1785865284
   C   3    0.2649580968
   C   4   -0.0068191968
   C   5   -0.0068191968
   O   6   -0.2713557219
   N   7   -0.1209478359
   C   8    0.1959153868
   C   9   -0.0005615918
   C  10   -0.0029925225
   C  11   -0.0029925225
   C  12    0.0323800417
   C  13    0.0323800417


BOND ANGLES
   2    1    4  Nam  Car  Car    120.069
   2    1    5  Nam  Car  Car    120.009
   4    1    5  Car  Car  Car    119.923
   1    2    3  Car  Nam   C2    120.116
   2    3    6  Nam   C2   O2    119.815
   2    3    8  Nam   C2   C3    120.116
   6    3    8   O2   C2   C3    120.069
   1    4   11  Car  Car  Car    119.923
   1    4   12  Car  Car   C3    120.069
  11    4   12  Car  Car   C3    120.009
   1    5   10  Car  Car  Car    119.511
   1    5   13  Car  Car   C3    120.499
  10    5   13  Car  Car   C3    119.990
   3    8    7   C2   C3   N3    120.649
  10    9   11  Car  Car  Car    120.069
   5   10    9  Car  Car  Car    120.566
   4   11    9  Car  Car  Car    120.009


TORSION ANGLES
   3    2    1    4      0.026
   3    2    1    5    179.974
   6    3    2    1      0.026
   8    3    2    1    179.974
  11    4    1    2    179.974
  11    4    1    5      0.026
  12    4    1    2      0.026
  12    4    1    5    179.974
  10    5    1    2    179.974
  10    5    1    4      0.026
  13    5    1    2      0.026
  13    5    1    4    179.974
   7    8    3    2    179.974
   7    8    3    6      0.026
  11    9   10    5      0.026
   9   10    5    1      0.026
   9   10    5   13    179.974
   9   11    4    1      0.026
   9   11    4   12    179.974
   4   11    9   10      0.026