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3-(N-tert-butoxycarbonyl-N-methylamino)pyrrolidine
3-(N-tert-butoxycarbonyl-N-methylamino)pyrrolidine ID: CHH16012
CAS:172478-00-1
Supplier:ChemiK Co.,Ltd.

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SMILES:N1CC(CC1)N(C)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    1.2108     1.2108     0.7483     0.0000 
   C   5    0.7483     1.2108     1.2108     0.7484     0.0000 
   N   6    1.9363     1.3334     0.7483     1.3335     1.9363     0.0000 
   C   7    2.4931     2.0030     1.2961     1.5629     2.2904     0.7484 
   C   8    2.2904     1.5628     1.2961     2.0030     2.4932     0.7483 
   O   9    3.0346     2.3110     1.9798     2.6287     3.1905     1.2961 
   O  10    2.1117     1.3743     1.4966     2.2422     2.5297     1.2960 
   C  11    2.7633     2.0574     2.2449     2.9901     3.2474     1.9798 
   C  12    2.5344     1.9416     2.3663     3.0633     3.1453     2.3343 
   C  13    3.4543     2.7743     2.9932     3.7382     3.9764     2.6980 
   C  14    3.1572     2.4116     2.3663     3.1013     3.5097     1.8734 

              C   7      C   8      O   9      O  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.2962     0.0000 
   O   9    1.4966     0.7483     0.0000 
   O  10    1.9798     0.7482     1.2961     0.0000 
   C  11    2.5922     1.2960     1.4966     0.7483     0.0000 
   C  12    3.0363     1.7915     2.1770     1.0583     0.7483     0.0000 
   C  13    3.2618     1.9798     1.9798     1.4966     0.7483     1.0583 
   C  14    2.3108     1.1269     0.9274     1.0583     0.7483     1.4966 

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



ATOMIC CHARGES
   N   1   -0.2162447732
   C   2    0.1085519619
   C   3    0.0973918829
   C   4    0.0401889320
   C   5    0.0905146517
   N   6   -0.2444272919
   C   7    0.1182687828
   C   8    0.4046855528
   O   9   -0.2261964591
   O  10   -0.4417877050
   C  11    0.1378299091
   C  12    0.0437415187
   C  13    0.0437415187
   C  14    0.0437415187


BOND ANGLES
   5    1    2   C3   N3   C3    108.006
   1    2    3   N3   C3   C3    107.996
   6    3    4  Nam   C3   C3    126.004
   3    4    5   C3   C3   C3    107.999
   2    1    5   C3   N3   C3    108.006
   8    6    7   C2  Nam   C3    120.001
  10    8    9   O3   C2   O2    120.007
  14   11   12   C3   C3   C3    179.974
  13   11   12   C3   C3   C3     90.000
  12   11   14   C3   C3   C3    179.974
  13   11   14   C3   C3   C3     90.000
  12   11   13   C3   C3   C3     90.000
  14   11   13   C3   C3   C3     90.000
   9    8   10   O2   C2   O3    120.007
   8   10   11   C2   O3   C3    119.998
   7    6    8   C3  Nam   C2    120.001
   6    8    9  Nam   C2   O2    119.995
   6    8   10  Nam   C2   O3    119.998
   4    3    6   C3   C3  Nam    126.004
   3    6    7   C3  Nam   C3    119.994
   3    6    8   C3  Nam   C2    120.005


TORSION ANGLES
   5    1    2    3      0.026
   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   10   11   12    179.974
   8   10   11   14      0.026
   8   10   11   13    180.000
   9    8   10   11      0.026
   6    8   10   11    179.974
   7    6    8    9      0.026
   7    6    8   10    179.974
   3    6    8    9    179.974
   3    6    8   10      0.026
   2    3    6    7    179.974
   2    3    6    8      0.026
   4    3    6    7      0.026
   4    3    6    8    179.974


CHIRAL ATOMS
   C     3 is chiral: counterclockwise
   N     6 is chiral: counterclockwise
   C    11 is chiral: counterclockwise