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1-BOC-3-Methylaminopyrrolidine
1-BOC-3-Methylaminopyrrolidine ID: CHH16013
CAS:454712-26-6
Supplier:ChemiK Co.,Ltd.

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SMILES:N1(CC(CC1)NC)C(=O)OC(C)(C)C	
FORMULA: C10H20N2O2
MASS: 200.2780
EXACT MASS: 200.1524779
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7483     0.0000 
   C   3    1.2108     0.7483     0.0000 
   C   4    1.2107     1.2107     0.7482     0.0000 
   C   5    0.7483     1.2108     1.2108     0.7483     0.0000 
   N   6    1.9363     1.3335     0.7483     1.3334     1.9363     0.0000 
   C   7    2.4931     2.0029     1.2961     1.5628     2.2904     0.7483 
   C   8    0.7483     1.3334     1.9363     1.9363     1.3335     2.6341 
   O   9    1.2961     1.5628     2.2904     2.4931     2.0030     2.8841 
   O  10    1.2961     2.0030     2.4931     2.2904     1.5629     3.2293 
   C  11    1.9798     2.6286     3.1904     3.0346     2.3110     3.9111 
   C  12    2.3344     3.0571     3.5027     3.1905     2.4422     4.2480 
   C  13    2.6980     3.3057     3.9067     3.7805     3.0592     4.6137 
   C  14    1.8734     2.3652     3.0346     3.0593     2.4159     3.6972 

              C   7      C   8      O   9      O  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.2292     0.0000 
   O   9    3.5656     0.7483     0.0000 
   O  10    3.7463     0.7484     1.2962     0.0000 
   C  11    4.4639     1.2961     1.4966     0.7483     0.0000 
   C  12    4.7137     1.7916     2.1771     1.0583     0.7484     0.0000 
   C  13    5.1903     1.9799     1.9799     1.4966     0.7483     1.0583 
   C  14    4.3306     1.1269     0.9274     1.0583     0.7482     1.4966 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    1.0583     0.0000 



ATOMIC CHARGES
   N   1   -0.2445459321
   C   2    0.1140521586
   C   3    0.0944166032
   C   4    0.0407356221
   C   5    0.0982706421
   N   6   -0.2161483194
   C   7    0.1074647799
   C   8    0.4046841559
   O   9   -0.2261964660
   O  10   -0.4417877093
   C  11    0.1378299091
   C  12    0.0437415187
   C  13    0.0437415187
   C  14    0.0437415187


BOND ANGLES
   2    1    5   C3  Nam   C3    108.004
   2    1    8   C3  Nam   C2    125.992
   5    1    8   C3  Nam   C2    126.004
   1    2    3  Nam   C3   C3    107.996
   2    3    4   C3   C3   C3    108.002
   2    3    6   C3   C3   N3    126.001
   4    3    6   C3   C3   N3    125.997
   3    4    5   C3   C3   C3    108.005
   1    5    4  Nam   C3   C3    107.992
   3    6    7   C3   N3   C3    119.998
   9    8   10   O2   C2   O3    120.001
   1    8    9  Nam   C2   O2    120.005
   1    8   10  Nam   C2   O3    119.994
   8   10   11   C2   O3   C3    119.994
  10   11   12   O3   C3   C3     89.996
  10   11   13   O3   C3   C3    179.974
  10   11   14   O3   C3   C3     90.007
  12   11   13   C3   C3   C3     89.993
  12   11   14   C3   C3   C3    179.974
  13   11   14   C3   C3   C3     90.004


TORSION ANGLES
   5    1    2    3      0.026
   8    1    2    3    179.974
   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
   8    1    5    4    179.974
   2    3    6    7    179.974
   4    3    6    7      0.026
   9    8   10   11      0.026
   1    8   10   11    179.974
   8   10   11   12    179.974
   8   10   11   13    179.974
   8   10   11   14      0.026
   2    1    8    9      0.026
   2    1    8   10    179.974
   5    1    8    9    179.974
   5    1    8   10      0.026


CHIRAL ATOMS
   5    1    8   10      0.026