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3-(N-tert-Butoxycarbonyl-N-methylamino)pyrrolidine
3-(N-tert-Butoxycarbonyl-N-methylamino)pyrrolidine
ID: BP-12252
CAS:172478-00-1
Supplier:BroadPharm

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SMILES:C(=O)(N(C1CCNC1)C)OC(C)(C)C	
FORMULA: C10H20N2O2
MASS: 200.2780
EXACT MASS: 200.1524779
INTERATOMIC DISTANCES

              C   1      N   2      O   3      O   4      N   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.2500     0.0000 
   O   3    1.2507     2.1654     0.0000 
   O   4    1.2508     2.1655     2.1667     0.0000 
   N   5    3.8242     3.2322     3.5259     5.0681     0.0000 
   C   6    2.1654     1.2507     2.5000     3.3083     2.0194     0.0000 
   C   7    2.1654     3.3074     1.2500     2.5014     4.6149     3.7500 
   C   8    3.3442     2.2259     3.7439     4.3899     2.0201     1.2484 
   C   9    2.6112     2.2281     2.2957     3.8617     1.2481     1.2497 
   C  10    2.1655     1.2508     3.3083     2.5000     4.1630     2.1667 
   C  11    4.1641     3.2333     4.2256     5.3292     1.2507     2.0212 
   C  12    2.9933     3.9000     1.7678     3.6382     4.2334     3.9528 
   C  13    3.3074     4.5071     2.5000     3.3083     5.7695     5.0000 
   C  14    1.8824     3.1294     1.7678     1.5501     5.2723     3.9528 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    4.9934     0.0000 
   C   9    3.4369     2.0218     0.0000 
   C  10    4.3309     2.6102     3.3472     0.0000 
   C  11    5.4249     1.2487     2.0233     3.8249     0.0000 
   C  12    1.2500     5.1160     3.2435     5.0731     5.2552     0.0000 
   C  13    1.2500     6.2430     4.6345     5.4493     6.6428     1.7678 
   C  14    1.2500     5.1787     4.0285     3.8604     5.8623     2.5000 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    1.7678     0.0000 



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


BOND ANGLES
   2    1    3  Nam   C2   O3    119.982
   2    1    4  Nam   C2   O2    119.980
   3    1    4   O3   C2   O2    120.037
   1    2    6   C2  Nam   C3    119.982
   1    2   10   C2  Nam   C3    119.980
   6    2   10   C3  Nam   C3    120.037
   1    3    7   C2   O3   C3    119.982
   9    5   11   C3   N3   C3    108.132
   2    6    8  Nam   C3   C3    125.923
   2    6    9  Nam   C3   C3    126.018
   8    6    9   C3   C3   C3    108.059
   3    7   12   O3   C3   C3     90.000
   3    7   13   O3   C3   C3    179.974
   3    7   14   O3   C3   C3     90.000
  12    7   13   C3   C3   C3     90.000
  12    7   14   C3   C3   C3    179.974
  13    7   14   C3   C3   C3     90.000
   6    8   11   C3   C3   C3    108.075
   5    9    6   N3   C3   C3    107.886
   5   11    8   N3   C3   C3    107.847


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


CHIRAL ATOMS
   8   11    5    9      0.026