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1-Boc-3-aminomethylpiperidine
1-Boc-3-aminomethylpiperidine ID: CHH15524
CAS:162167-97-7
Supplier:ChemiK Co.,Ltd.

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SMILES:N1(CC(CCC1)CN)C(=O)OC(C)(C)C	
FORMULA: C11H22N2O2
MASS: 214.3046
EXACT MASS: 214.1681280
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.9242     0.0000 
   C   3    1.6008     0.9242     0.0000 
   C   4    1.8484     1.6008     0.9242     0.0000 
   C   5    1.6008     1.8484     1.6008     0.9242     0.0000 
   C   6    0.9242     1.6008     1.8484     1.6008     0.9242     0.0000 
   C   7    2.4453     1.6008     0.9242     1.6008     2.4452     2.7727 
   N   8    3.2015     2.4452     1.6007     1.8483     2.7726     3.3322 
   C   9    0.9241     1.6007     2.4452     2.7726     2.4452     1.6007 
   O  10    1.6007     1.8483     2.7726     3.3322     3.2015     2.4452 
   O  11    1.6007     2.4452     3.2015     3.3322     2.7726     1.8483 
   C  12    2.4452     3.2015     4.0285     4.2352     3.6968     2.7726 
   C  13    2.8831     3.7500     4.4768     4.5023     3.8105     2.9225 
   C  14    3.3322     4.0285     4.8904     5.1457     4.6210     3.6968 
   C  15    2.3138     2.8539     3.7582     4.1608     3.8106     2.9226 

              C   7      N   8      C   9      O  10      O  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   N   8    0.9241     0.0000 
   C   9    3.2015     4.0284     0.0000 
   O  10    3.3322     4.2351     0.9242     0.0000 
   O  11    4.0285     4.8022     0.9242     1.6008     0.0000 
   C  12    4.8023     5.6216     1.6008     1.8484     0.9242     0.0000 
   C  13    5.3249     6.0741     2.2127     2.6888     1.3070     0.9242 
   C  14    5.6217     6.4694     2.4453     2.4453     1.8484     0.9242 
   C  15    4.4134     5.2933     1.3919     1.1454     1.3070     0.9242 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    1.3070     0.0000 
   C  15    1.8484     1.3070     0.0000 



ATOMIC CHARGES
   N   1   -0.2459762870
   C   2    0.0981576586
   C   3    0.0390677704
   C   4    0.0049540211
   C   5    0.0217219576
   C   6    0.0967242325
   C   7    0.1109669994
   N   8   -0.1313285147
   C   9    0.4046428429
   O  10   -0.2261970625
   O  11   -0.4417880814
   C  12    0.1378299069
   C  13    0.0437415187
   C  14    0.0437415187
   C  15    0.0437415187


BOND ANGLES
   2    1    6   C3  Nam   C3    119.999
   2    1    9   C3  Nam   C2    119.998
   6    1    9   C3  Nam   C2    120.003
   1    2    3  Nam   C3   C3    120.001
   2    3    4   C3   C3   C3    119.999
   2    3    7   C3   C3   C3    120.001
   4    3    7   C3   C3   C3    119.999
   3    4    5   C3   C3   C3    119.999
   4    5    6   C3   C3   C3    120.001
   1    6    5  Nam   C3   C3    119.999
   3    7    8   C3   C3   N3    119.998
  10    9   11   O2   C2   O3    119.999
   1    9   10  Nam   C2   O2    120.003
   1    9   11  Nam   C2   O3    119.998
   9   11   12   C2   O3   C3    120.001
  11   12   13   O3   C3   C3     90.000
  11   12   14   O3   C3   C3    179.974
  11   12   15   O3   C3   C3     90.000
  13   12   14   C3   C3   C3     90.000
  13   12   15   C3   C3   C3    179.974
  14   12   15   C3   C3   C3     90.000


TORSION ANGLES
   6    1    2    3      0.026
   9    1    2    3    179.974
   1    2    3    4      0.026
   1    2    3    7    179.974
   2    3    4    5      0.026
   7    3    4    5    179.974
   3    4    5    6      0.026
   4    5    6    1      0.026
   2    1    6    5      0.026
   9    1    6    5    179.974
   2    3    7    8    179.974
   4    3    7    8      0.026
  10    9   11   12      0.026
   1    9   11   12    179.974
   9   11   12   13    179.974
   9   11   12   14      0.026
   9   11   12   15      0.026
   2    1    9   10      0.026
   2    1    9   11    179.974
   6    1    9   10    179.974
   6    1    9   11      0.026


CHIRAL ATOMS
   6    1    9   11      0.026