Sign In Join Free

Products Information

4-Bromomethyl-piperidine-1-carboxylic acid tert-butyl ester
4-Bromomethyl-piperidine-1-carboxylic acid tert-butyl ester ID: CHH15515
CAS:158407-04-6
Supplier:ChemiK Co.,Ltd.

Get a quote


SMILES:N1(CCC(CC1)CBr)C(=O)OC(C)(C)C	
FORMULA: C11H20BrNO2
MASS: 278.1860
EXACT MASS: 277.0677409
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.5970     0.0000 
   C   3    1.0341     0.5971     0.0000 
   C   4    1.1941     1.0341     0.5970     0.0000 
   C   5    1.0342     1.1941     1.0341     0.5971     0.0000 
   C   6    0.5971     1.0341     1.1941     1.0342     0.5971     0.0000 
   C   7    0.5970     1.0340     1.5796     1.7911     1.5796     1.0341 
   O   8    1.0340     1.1940     1.7911     2.1526     2.0682     1.5796 
   O   9    1.0341     1.5796     2.0682     2.1526     1.7911     1.1940 
   C  10    1.7911     1.5796     1.0340     0.5970     1.0341     1.5796 
  Br  11    2.1526     1.7911     1.1940     1.0340     1.5796     2.0682 
   C  12    1.5795     2.0681     2.6024     2.7359     2.3881     1.7910 
   C  13    1.8625     2.4224     2.8920     2.9084     2.4616     1.8879 
   C  14    2.1526     2.6024     3.1592     3.3242     2.9852     2.3881 
   C  15    1.4946     1.8436     2.4278     2.6878     2.4616     1.8879 

              C   7      O   8      O   9      C  10     Br  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    0.5970     0.0000 
   O   9    0.5971     1.0341     0.0000 
   C  10    2.3881     2.7359     2.7359     0.0000 
  Br  11    2.7359     2.9851     3.1591     0.5970     0.0000 
   C  12    1.0341     1.1941     0.5970     3.3241     3.7284     0.0000 
   C  13    1.4294     1.7369     0.8443     3.4675     3.9360     0.5970 
   C  14    1.5796     1.5796     1.1941     3.9150     4.3052     0.5971 
   C  15    0.8991     0.7399     0.8443     3.2846     3.6087     0.5970 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    0.8444     0.0000 
   C  15    1.1940     0.8444     0.0000 



ATOMIC CHARGES
   N   1   -0.2460232358
   C   2    0.0967507121
   C   3    0.0225492750
   C   4    0.0147918347
   C   5    0.0225492750
   C   6    0.0967507121
   C   7    0.4046423089
   O   8   -0.2261970649
   O   9   -0.4417880830
   C  10    0.0677011537
  Br  11   -0.0807813507
   C  12    0.1378299069
   C  13    0.0437415187
   C  14    0.0437415187
   C  15    0.0437415187


BOND ANGLES
   2    1    6   C3  Nam   C3    120.003
   2    1    7   C3  Nam   C2    120.001
   6    1    7   C3  Nam   C2    119.996
   1    2    3  Nam   C3   C3    120.001
   2    3    4   C3   C3   C3    120.001
   3    4    5   C3   C3   C3    120.003
   3    4   10   C3   C3   C3    120.001
   5    4   10   C3   C3   C3    119.996
   4    5    6   C3   C3   C3    119.996
   1    6    5  Nam   C3   C3    119.996
   8    7    9   O2   C2   O3    120.003
   1    7    8  Nam   C2   O2    120.001
   1    7    9  Nam   C2   O3    119.996
   7    9   12   C2   O3   C3    119.996
   4   10   11   C3   C3   Br    120.001
  13   12   15   C3   C3   C3    179.974
  13   12   14   C3   C3   C3     90.000
   9   12   13   O3   C3   C3     90.000
  14   12   15   C3   C3   C3     90.000
   9   12   15   O3   C3   C3     90.000
   9   12   14   O3   C3   C3    179.974


TORSION ANGLES
   6    1    2    3      0.026
   7    1    2    3    179.974
   1    2    3    4      0.026
   2    3    4    5      0.026
   2    3    4   10    179.974
   3    4    5    6      0.026
  10    4    5    6    179.974
   4    5    6    1      0.026
   2    1    6    5      0.026
   7    1    6    5    179.974
   8    7    9   12      0.026
   1    7    9   12    179.974
   2    1    7    8      0.026
   2    1    7    9    179.974
   6    1    7    8    179.974
   6    1    7    9      0.026
   3    4   10   11      0.026
   5    4   10   11    179.974
   7    9   12   13    179.974
   7    9   12   15      0.026
   7    9   12   14    180.000