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3-aminopyrrolidine dihydrochloride
3-aminopyrrolidine dihydrochloride ID: CHH16023
CAS:103831-11-4
Supplier:ChemiK Co.,Ltd.

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SMILES:N1CC(CC1)N.Cl.Cl	
FORMULA: C4H12Cl2N2
MASS: 159.0575
EXACT MASS: 158.0377538
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7175     0.0000 
   C   3    1.1609     0.7175     0.0000 
   C   4    1.1609     1.1609     0.7174     0.0000 
   C   5    0.7175     1.1609     1.1609     0.7175     0.0000 
   N   6    1.8566     1.2786     0.7175     1.2785     1.8566     0.0000 
   H   7    2.3906     1.9205     1.2428     1.4986     2.1962     0.7175 
  Cl   8    3.0592     2.5205     1.8983     2.2159     2.9098     1.2428 
   H   9    3.6291     3.1545     2.4855     2.6580     3.3744     1.8983 
  Cl  10    4.2847     3.7629     3.1275     3.3577     4.0712     2.4855 

              H   7     Cl   8      H   9     Cl  10
              --------------------------------------------
   H   7    0.0000 
  Cl   8    0.7175     0.0000 
   H   9    1.2427     0.7175     0.0000 
  Cl  10    1.8983     1.2427     0.7175     0.0000 



ATOMIC CHARGES
   N   1   -0.2164763826
   C   2    0.1076621235
   C   3    0.1105848771
   C   4    0.0392865137
   C   5    0.0902867660
   N   6   -0.1313438977
   H   7    0.1453996612
  Cl   8   -0.1453996612
   H   9    0.1453996612
  Cl  10   -0.1453996612


BOND ANGLES
   2    1    5   C3   N3   C3    107.998
   1    2    3   N3   C3   C3    107.998
   2    3    4   C3   C3   C3    108.003
   2    3    6   C3   C3   N3    125.996
   4    3    6   C3   C3   N3    126.001
   3    4    5   C3   C3   C3    108.003
   1    5    4   N3   C3   C3    107.998


TORSION ANGLES
   1    2    3    4      0.026
   1    2    3    6    179.974
   2    3    4    5      0.026
   6    3    4    5    179.974
   3    4    5    1      0.026
   2    1    5    4      0.026
   5    1    2    3      0.026


CHIRAL ATOMS
   5    1    2    3      0.026