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(S)-3-(N-Tert-Butoxycarbonyl-N-Methylamino)Pyrrolidine
(S)-3-(N-Tert-Butoxycarbonyl-N-Methylamino)Pyrrolidine ID: CHH16010
CAS:169750-01-0
Supplier:ChemiK Co.,Ltd.

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SMILES:N1C[C@H](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
   2    1    5   C3   N3   C3    108.006
   1    2    3   N3   C3   C3    107.996
   2    3    4   C3   C3   C3    108.004
   2    3    6   C3   C3  Nam    125.992
   4    3    6   C3   C3  Nam    126.004
   3    4    5   C3   C3   C3    107.999
   1    5    4   N3   C3   C3    107.994
   7    6    8   C3  Nam   C2    120.001
   3    6    7   C3  Nam   C3    119.994
   3    6    8   C3  Nam   C2    120.005
   9    8   10   O2   C2   O3    120.007
   6    8    9  Nam   C2   O2    119.995
   6    8   10  Nam   C2   O3    119.998
   8   10   11   C2   O3   C3    119.998
  12   11   14   C3   C3   C3    179.974
  12   11   13   C3   C3   C3     90.000
  10   11   12   O3   C3   C3     90.000
  13   11   14   C3   C3   C3     90.000
  10   11   14   O3   C3   C3     90.000
  10   11   13   O3   C3   C3    179.974


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
   4    3    6    8    179.974