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(S)-3-amino-N-Boc-pyrrolidine
(S)-3-amino-N-Boc-pyrrolidine ID: CHH16004
CAS:147081-44-5
Supplier:ChemiK Co.,Ltd.

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SMILES:N1(C[C@H](CC1)N)C(=O)OC(C)(C)C	
FORMULA: C9H18N2O2
MASS: 186.2514
EXACT MASS: 186.1368278
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   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 
   C   6    0.7483     1.3334     1.9363     1.9363     1.3335     0.0000 
   O   7    1.2961     1.5628     2.2904     2.4931     2.0030     0.7483 
   O   8    1.2961     2.0030     2.4931     2.2904     1.5629     0.7484 
   C   9    1.9798     2.6286     3.1904     3.0346     2.3110     1.2961 
   C  10    1.8734     2.3652     3.0346     3.0593     2.4159     1.1269 
   C  11    2.3344     3.0571     3.5027     3.1905     2.4422     1.7916 
   C  12    2.6980     3.3056     3.9066     3.7804     3.0591     1.9798 
   N  13    1.9363     1.3335     0.7483     1.3334     1.9363     2.6341 

              O   7      O   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   O   8    1.2962     0.0000 
   C   9    1.4966     0.7483     0.0000 
   C  10    0.9274     1.0583     0.7482     0.0000 
   C  11    2.1771     1.0583     0.7484     1.4966     0.0000 
   C  12    1.9798     1.4965     0.7482     1.0582     1.0582     0.0000 
   N  13    2.8841     3.2293     3.9111     3.6972     4.2480     4.6136 

              N  13
              -----------
   N  13    0.0000 



ATOMIC CHARGES
   N   1   -0.2444901239
   C   2    0.1156907000
   C   3    0.1133857750
   C   4    0.0423773864
   C   5    0.0983257080
   C   6    0.4046847801
   O   7   -0.2261964632
   O   8   -0.4417877075
   C   9    0.1378299091
   C  10    0.0437415187
   C  11    0.0437415187
   C  12    0.0437415187
   N  13   -0.1310445200


BOND ANGLES
   2    1    5   C3  Nam   C3    108.004
   2    1    6   C3  Nam   C2    125.992
   5    1    6   C3  Nam   C2    126.004
   1    2    3  Nam   C3   C3    107.996
   2    3    4   C3   C3   C3    108.002
   2    3   13   C3   C3   N3    126.001
   4    3   13   C3   C3   N3    125.997
   3    4    5   C3   C3   C3    108.005
   1    5    4  Nam   C3   C3    107.992
   7    6    8   O2   C2   O3    120.001
   1    6    7  Nam   C2   O2    120.005
   1    6    8  Nam   C2   O3    119.994
   6    8    9   C2   O3   C3    119.994
   8    9   10   O3   C3   C3     90.007
   8    9   11   O3   C3   C3     89.996
   8    9   12   O3   C3   C3    179.974
  10    9   11   C3   C3   C3    179.974
  10    9   12   C3   C3   C3     90.000
  11    9   12   C3   C3   C3     89.997


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


CHIRAL ATOMS
   5    1    6    8      0.026