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(R)-3-(Aminomethyl)-N-Boc pyrrolidine
(R)-3-(Aminomethyl)-N-Boc pyrrolidine ID: CHH16017
CAS:270912-72-6
Supplier:ChemiK Co.,Ltd.

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SMILES:N1(C[C@H](CC1)CN)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      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.8937     0.0000 
   C   3    1.4460     0.8937     0.0000 
   C   4    1.4460     1.4460     0.8938     0.0000 
   C   5    0.8937     1.4460     1.4460     0.8936     0.0000 
   C   6    0.8936     1.5925     2.3124     2.3124     1.5925     0.0000 
   O   7    1.5479     1.8664     2.7353     2.9774     2.3921     0.8937 
   O   8    1.5479     2.3921     2.9775     2.7353     1.8665     0.8937 
   C   9    2.3644     3.1393     3.8102     3.6241     2.7599     1.5479 
   C  10    2.2374     2.8246     3.6242     3.6536     2.8853     1.3459 
   C  11    2.7879     3.6509     4.1831     3.8101     2.9166     2.1396 
   C  12    3.2221     3.9479     4.6655     4.5148     3.6534     2.3644 
   C  13    2.3124     1.5925     0.8936     1.5925     2.3124     3.1457 
   N  14    2.9774     2.3920     1.5478     1.8665     2.7353     3.8565 

              O   7      O   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   O   8    1.5479     0.0000 
   C   9    1.7874     0.8936     0.0000 
   C  10    1.1076     1.2639     0.8937     0.0000 
   C  11    2.5999     1.2638     0.8936     1.7873     0.0000 
   C  12    2.3644     1.7873     0.8937     1.2638     1.2639     0.0000 
   C  13    3.4443     3.8566     4.6709     4.4154     5.0731     5.5099 
   N  14    4.2582     4.4741     5.3311     5.1719     5.6294     6.1985 

              C  13      N  14
              ----------------------
   C  13    0.0000 
   N  14    0.8937     0.0000 



ATOMIC CHARGES
   N   1   -0.2459741736
   C   2    0.0982137634
   C   3    0.0407126905
   C   4    0.0248131725
   C   5    0.0968270417
   C   6    0.4046428505
   O   7   -0.2261970625
   O   8   -0.4417880814
   C   9    0.1378299069
   C  10    0.0437415187
   C  11    0.0437415187
   C  12    0.0437415187
   C  13    0.1110230905
   N  14   -0.1313277545


BOND ANGLES
   2    1    5   C3  Nam   C3    108.002
   2    1    6   C3  Nam   C2    126.000
   5    1    6   C3  Nam   C2    125.998
   1    2    3  Nam   C3   C3    108.001
   2    3    4   C3   C3   C3    107.996
   2    3   13   C3   C3   C3    126.002
   4    3   13   C3   C3   C3    126.001
   3    4    5   C3   C3   C3    108.001
   1    5    4  Nam   C3   C3    107.999
   7    6    8   O2   C2   O3    119.996
   1    6    7  Nam   C2   O2    119.999
   1    6    8  Nam   C2   O3    120.004
   6    8    9   C2   O3   C3    120.004
   8    9   10   O3   C3   C3     90.003
   8    9   11   O3   C3   C3     90.000
   8    9   12   O3   C3   C3    179.974
  10    9   11   C3   C3   C3    179.974
  10    9   12   C3   C3   C3     89.991
  11    9   12   C3   C3   C3     90.006
   3   13   14   C3   C3   N3    120.001


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      0.026
   2    1    6    7      0.026
   2    1    6    8    179.974
   5    1    6    7    179.974
   5    1    6    8      0.026
   2    3   13   14    179.974
   4    3   13   14      0.026


CHIRAL ATOMS
   4    3   13   14      0.026