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3-Boc-aminopyrrolidine
3-Boc-aminopyrrolidine ID: B189102
CAS:99724-19-3
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:C(=O)(NC1CCNC1)OC(C)(C)C	
FORMULA: C9H18N2O2
MASS: 186.2514
EXACT MASS: 186.1368278
INTERATOMIC DISTANCES

              C   1      N   2      O   3      O   4      N   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.7504     0.0000 
   O   3    0.7504     1.3000     0.0000 
   O   4    0.7500     1.2993     1.2993     0.0000 
   N   5    2.5000     1.9409     3.1991     2.5373     0.0000 
   C   6    1.3000     1.9857     0.7504     1.5008     3.7957     0.0000 
   C   7    1.3000     0.7504     1.9857     1.5008     1.2135     2.6000 
   C   8    1.5679     1.3371     2.3182     1.3792     1.2141     2.7811 
   C   9    2.2962     1.9402     3.0425     2.1178     0.7504     3.5292 
   C  10    2.0037     1.3307     2.6299     2.2464     0.7581     3.2941 
   C  11    1.1281     1.8769     1.0572     0.9309     3.4354     0.7468 
   C  12    1.9849     2.7049     1.4987     1.9865     4.4391     0.7483 
   C  13    1.7967     2.3412     1.0612     2.1830     4.2587     0.7504 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.7500     0.0000 
   C   9    1.2125     0.7493     0.0000 
   C  10    0.7476     1.2166     1.2198     0.0000 
   C  11    2.3168     2.3064     3.0481     3.0582     0.0000 
   C  12    3.2711     3.3503     4.0968     3.9882     1.0612     0.0000 
   C  13    3.0452     3.3580     4.0924     3.6698     1.4972     1.0572 

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



ATOMIC CHARGES
   C   1    0.4208923630
   N   2   -0.1689683229
   O   3   -0.4407972642
   O   4   -0.2245672917
   N   5   -0.2161789107
   C   6    0.1378771144
   C   7    0.1174721209
   C   8    0.0420526172
   C   9    0.0905789563
   C  10    0.1104120801
   C  11    0.0437421792
   C  12    0.0437421792
   C  13    0.0437421792


BOND ANGLES
   2    1    3  Nam   C2   O3    120.037
   2    1    4  Nam   C2   O2    119.982
   3    1    4   O3   C2   O2    119.982
   1    2    7   C2  Nam   C3    120.037
   1    3    6   C2   O3   C3    120.037
   9    5   10   C3   N3   C3    107.916
   3    6   11   O3   C3   C3     89.839
   3    6   12   O3   C3   C3    179.721
   3    6   13   O3   C3   C3     90.000
  11    6   12   C3   C3   C3     90.440
  11    6   13   C3   C3   C3    179.839
  12    6   13   C3   C3   C3     89.721
   2    7    8  Nam   C3   C3    126.043
   2    7   10  Nam   C3   C3    125.311
   8    7   10   C3   C3   C3    108.645
   7    8    9   C3   C3   C3    107.937
   5    9    8   N3   C3   C3    108.106
   5   10    7   N3   C3   C3    107.395


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


CHIRAL ATOMS
  10    5    9    8      0.026