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piperazine-2-carboxylic acid methyl ester dihydrochloride
piperazine-2-carboxylic acid methyl ester dihydrochloride ID: B184468
CAS:122323-88-0
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:C1(C(=O)OC)NCCNC1.Cl.Cl	
FORMULA: C6H14Cl2N2O2
MASS: 217.0936
EXACT MASS: 216.0432331
INTERATOMIC DISTANCES

              C   1      C   2      N   3      N   4      O   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8311     0.0000 
   N   3    0.8305     1.4375     0.0000 
   N   4    1.4357     2.1978     1.6542     0.0000 
   O   5    1.4292     0.8275     2.1892     2.4828     0.0000 
   C   6    0.8250     1.4372     1.4321     0.8326     1.6502     0.0000 
   O   7    1.4372     0.8250     1.6616     2.8730     1.4352     2.1913 
  Cl   8    4.4727     3.9634     5.2870     4.9885     3.1387     4.2979 
  Cl   9    4.3293     3.6399     5.0689     5.1945     2.9001     4.4025 
   C  10    1.4208     2.1785     0.8125     1.4254     2.8500     1.6430 
   C  11    1.6430     2.4741     1.4218     0.8146     2.9670     1.4208 
   C  12    1.6583     1.4301     1.4393     2.9882     2.1892     2.4833 
   H  13    3.6940     3.2453     4.5170     4.1637     2.4187     3.4803 
   H  14    3.5043     2.8229     4.2476     4.3967     2.0752     3.5944 

              O   7     Cl   8     Cl   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
  Cl   8    4.3929     0.0000 
  Cl   9    3.8295     1.3182     0.0000 
   C  10    2.4741     5.8436     5.7501     0.0000 
   C  11    2.9761     5.7109     5.8054     0.8250     0.0000 
   C  12    0.8269     5.2158     4.6449     2.1837     2.8610     0.0000 
   H  13    3.7578     0.8250     1.5879     5.0442     4.8899     4.5657 
   H  14    3.0635     1.5215     0.8250     4.9251     4.9896     3.8875 

              H  13      H  14
              ----------------------
   H  13    0.0000 
   H  14    1.3182     0.0000 



ATOMIC CHARGES
   C   1    0.1889022331
   C   2    0.3345118399
   N   3   -0.2057310339
   N   4   -0.2144663262
   O   5   -0.2485026812
   C   6    0.1174404715
   O   7   -0.4434125466
  Cl   8   -0.1453996612
  Cl   9   -0.1453996612
   C  10    0.1080734879
   C  11    0.1075372422
   C  12    0.2556473133
   H  13    0.1453996612
   H  14    0.1453996612


BOND ANGLES
   2    1    3   C2   C3   N3    119.800
   2    1    6   C2   C3   C3    120.419
   3    1    6   N3   C3   C3    119.782
   1    2    5   C3   C2   O2    119.015
   1    2    7   C3   C2   O3    120.419
   5    2    7   O2   C2   O3    120.566
   1    3   10   C3   N3   C3    119.708
   6    4   11   C3   N3   C3    119.203
   1    6    4   C3   C3   N3    120.033
   2    7   12   C2   O3   C3    119.923
   3   10   11   N3   C3   C3    120.510
   4   11   10   N3   C3   C3    120.765


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


CHIRAL ATOMS
   4   11   10    3      0.026