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3-N-Boc-aminocyclohexanone
3-N-Boc-aminocyclohexanone ID: API-21476
CAS:885280-38-6
Supplier:APIchem

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SMILES:C1(=O)CC(CCC1)NC(=O)OC(C)(C)C	ChemMol.com
FORMULA: C11H19NO3
MASS: 213.2735
EXACT MASS: 213.1364935
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5230     0.0000 
   C   3    2.6379     1.5230     0.0000 
   C   4    3.0460     2.6379     1.5230     0.0000 
   C   5    2.6379     3.0460     2.6379     1.5230     0.0000 
   C   6    1.5230     2.6379     3.0460     2.6379     1.5230     0.0000 
   O   7    1.5230     2.6379     4.0294     4.5689     4.0295     2.6379 
   N   8    4.0295     2.6379     1.5230     2.6379     4.0295     4.5690 
   C   9    5.2759     4.0295     2.6380     3.0461     4.5690     5.4913 
   O  10    5.4913     4.5690     3.0461     2.6380     4.0295     5.2759 
   O  11    6.6386     5.2758     4.0295     4.5690     6.0920     6.9793 
   C  12    7.9138     6.6386     5.2759     5.4913     6.9793     8.0590 
   C  13    9.2641     7.9137     6.6386     6.9793     8.4797     9.5111 
   C  14    9.2641     8.0589     6.6386     6.6386     8.0589     9.2641 
   C  15    8.0590     6.9793     5.4913     5.2759     6.6386     7.9138 

              O   7      N   8      C   9      O  10      O  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   N   8    5.2758     0.0000 
   C   9    6.6386     1.5230     0.0000 
   O  10    6.9793     2.6379     1.5230     0.0000 
   O  11    7.9137     2.6379     1.5230     2.6379     0.0000 
   C  12    9.2641     4.0295     2.6379     3.0460     1.5230     0.0000 
   C  13   10.5516     5.2758     4.0294     4.5689     2.6379     1.5230 
   C  14   10.6609     5.4912     4.0294     4.0294     3.0460     1.5230 
   C  15    9.5111     4.5690     3.0460     2.6379     2.6379     1.5230 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    1.5230     0.0000 
   C  15    2.6379     1.5230     0.0000 



ATOMIC CHARGES
   C   1    0.1523826647
   C   2    0.0862135182
   C   3    0.1060412780
   C   4    0.0226706243
   C   5    0.0095247246
   C   6    0.0646207913
   O   7   -0.2960005625
   N   8   -0.1700513183
   C   9    0.4208599537
   O  10   -0.2245677649
   O  11   -0.4407975594
   C  12    0.1378771127
   C  13    0.0437421792
   C  14    0.0437421792
   C  15    0.0437421792


BOND ANGLES
   2    1    6   C3   C2   C3    119.999
   2    1    7   C3   C2   O2    120.000
   6    1    7   C3   C2   O2    120.001
   1    2    3   C2   C3   C3    120.000
   2    3    4   C3   C3   C3    120.001
   2    3    8   C3   C3  Nam    120.000
   4    3    8   C3   C3  Nam    119.999
   3    4    5   C3   C3   C3    120.001
   4    5    6   C3   C3   C3    120.000
   1    6    5   C2   C3   C3    119.999
   3    8    9   C3  Nam   C2    120.002
  10    9   11   O2   C2   O3    120.001
   8    9   10  Nam   C2   O2    119.999
   8    9   11  Nam   C2   O3    120.000
   9   11   12   C2   O3   C3    120.000
  11   12   13   O3   C3   C3    120.000
  11   12   14   O3   C3   C3    179.974
  11   12   15   O3   C3   C3    119.999
  13   12   14   C3   C3   C3     60.002
  13   12   15   C3   C3   C3    120.001
  14   12   15   C3   C3   C3     59.999


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


CHIRAL ATOMS
   4    3    8    9      0.026