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3-Aminopyrrolidine dihydrochloride
3-Aminopyrrolidine dihydrochloride ID: API-28900
CAS:103831-11-4
Supplier:APIchem

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

             Cl   1     Cl   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
  Cl   2    4.8967     0.0000 
   N   3    5.3981     5.4549     0.0000 
   N   4    3.6290     3.0955     2.5877     0.0000 
   C   5    4.3480     3.8789     1.6181     1.0000     0.0000 
   C   6    5.3211     4.0466     1.6181     1.7820     1.0000     0.0000 
   C   7    4.4063     4.8287     1.0000     1.7820     1.0000     1.6180 
   C   8    5.8855     5.0464     1.0000     2.5876     1.6180     1.0000 
   H   9    3.7888     3.9976     1.8211     0.9063     0.6200     1.6153 
   H  10    5.1631     3.4393     2.1990     1.5351     1.1202     0.6200 
   H  11    5.8928     4.1440     2.0014     2.2972     1.6116     0.6199 
   H  12    4.4267     5.3826     1.1202     2.2972     1.6116     2.1989 
   H  13    3.7879     4.6292     1.6116     1.5351     1.1202     2.0014 
   H  14    6.3427     5.0085     1.6116     2.8881     2.0014     1.1202 
   H  15    6.3760     5.6522     1.1202     3.1853     2.1989     1.6116 
   H  16    5.7277     6.0708     0.6200     3.1610     2.2160     2.2160 
   H  17    3.8780     2.5058     3.0317     0.6200     1.4158     1.9172 
   H  18    3.0220     3.2994     2.8491     0.6200     1.4158     2.3266 
   H  19    1.0000     4.1107     4.5530     2.6337     3.3907     4.3480 
   H  20    5.7496     1.0000     5.4247     3.3806     3.9644     3.8789 

              C   7      C   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.6180     0.0000 
   H   9    0.9064     2.1027     0.0000 
   H  10    2.0014     1.6116     1.7042     0.0000 
   H  11    2.1989     1.1202     2.2303     0.8297     0.0000 
   H  12    0.6200     2.0014     1.3910     2.6163     2.7508     0.0000 
   H  13    0.6200     2.1989     0.6569     2.2380     2.6162     0.8297 
   H  14    2.1989     0.6200     2.5596     1.6169     0.8704     2.6162 
   H  15    2.0014     0.6200     2.6295     2.2129     1.6169     2.2380 
   H  16    1.4537     1.4537     2.3428     2.8094     2.5413     1.3047 
   H  17    2.3267     2.8491     1.4982     1.4801     2.3076     2.8774 
   H  18    1.9172     3.0317     1.0286     2.1434     2.8774     2.3077 
   H  19    3.5531     4.9610     2.8585     4.1687     4.9095     3.6640 
   H  20    4.9603     4.8497     4.2280     3.2603     3.8250     5.5571 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    2.7508     0.0000 
   H  15    2.6162     0.8297     0.0000 
   H  16    2.0058     2.0058     1.3047     0.0000 
   H  17    2.1434     3.0317     3.4669     3.6317     0.0000 
   H  18    1.4801     3.4011     3.5992     3.3664     1.0739     0.0000 
   H  19    2.9479     5.3917     5.4778     4.9393     2.8812     2.0329 
   H  20    4.8838     4.6910     5.4203     6.0436     2.7607     3.7371 

              H  19      H  20
              ----------------------
   H  19    0.0000 
   H  20    4.8967     0.0000 



ATOMIC CHARGES
  Cl   1   -0.1453996612
  Cl   2   -0.1453996612
   N   3   -0.3144565353
   N   4   -0.3261101390
   C   5    0.0185800973
   C   6   -0.0239802060
   C   7    0.0111558809
   C   8   -0.0026029769
   H   9    0.0471004493
   H  10    0.0292837153
   H  11    0.0292837153
   H  12    0.0439177432
   H  13    0.0439177432
   H  14    0.0424483750
   H  15    0.0424483750
   H  16    0.1219911203
   H  17    0.1185113212
   H  18    0.1185113212
   H  19    0.1453996612
   H  20    0.1453996612


BOND ANGLES
   7    3    8   C3   N3   C3    107.997
   7    3   16   C3   N3   HC    126.001
   8    3   16   C3   N3   HC    126.001
   5    4   17   C3   N3   HC    119.997
   5    4   18   C3   N3   HC    120.002
  17    4   18   HC   N3   HC    120.001
   4    5    6   N3   C3   C3    126.001
   4    5    7   N3   C3   C3    126.000
   4    5    9   N3   C3   HC     62.999
   6    5    7   C3   C3   C3    107.998
   6    5    9   C3   C3   HC    171.000
   7    5    9   C3   C3   HC     63.001
   5    6    8   C3   C3   C3    107.998
   5    6   10   C3   C3   HC     84.001
   5    6   11   C3   C3   HC    167.999
   8    6   10   C3   C3   HC    168.001
   8    6   11   C3   C3   HC     84.002
  10    6   11   HC   C3   HC     83.999
   3    7    5   N3   C3   C3    108.003
   3    7   12   N3   C3   HC     84.000
   3    7   13   N3   C3   HC    168.001
   5    7   12   C3   C3   HC    167.997
   5    7   13   C3   C3   HC     83.996
  12    7   13   HC   C3   HC     84.000
   3    8    6   N3   C3   C3    108.003
   3    8   14   N3   C3   HC    168.001
   3    8   15   N3   C3   HC     84.000
   6    8   14   C3   C3   HC     83.996
   6    8   15   C3   C3   HC    167.997
  14    8   15   HC   C3   HC     84.000


TORSION ANGLES
   8    3    7    5      0.026
   8    3    7   12    179.974
   8    3    7   13    179.974
  16    3    7    5    179.974
  16    3    7   12      0.026
  16    3    7   13      0.026
   7    3    8    6      0.026
   7    3    8   14    179.974
   7    3    8   15    179.974
  16    3    8    6    179.974
  16    3    8   14      0.026
  16    3    8   15      0.026
  17    4    5    6      0.026
  17    4    5    7    179.974
  17    4    5    9    179.974
  18    4    5    6    179.974
  18    4    5    7      0.026
  18    4    5    9      0.026
   4    5    6    8    179.974
   4    5    6   10      0.026
   4    5    6   11      0.026
   7    5    6    8      0.026
   7    5    6   10    179.974
   7    5    6   11    179.974
   9    5    6    8      0.026
   9    5    6   10    179.974
   9    5    6   11    179.974
   4    5    7    3    179.974
   4    5    7   12      0.026
   4    5    7   13      0.026
   6    5    7    3      0.026
   6    5    7   12    179.974
   6    5    7   13    179.974
   9    5    7    3    179.974
   9    5    7   12      0.026
   9    5    7   13      0.026
   5    6    8    3      0.026
   5    6    8   14    179.974
   5    6    8   15    179.974
  10    6    8    3    179.974
  10    6    8   14      0.026
  10    6    8   15      0.026
  11    6    8    3    179.974
  11    6    8   14      0.026
  11    6    8   15      0.026


CHIRAL ATOMS
  11    6    8   15      0.026