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TERT-BUTYL CARBAMATE
TERT-BUTYL CARBAMATE
ID: BP-12094
CAS:4248-19-5
Supplier:BroadPharm

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SMILES:C(=O)(OC(C)(C)C)N	
FORMULA: C5H11NO2
MASS: 117.1463
EXACT MASS: 117.0789786
INTERATOMIC DISTANCES

              C   1      O   2      O   3      C   4      N   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   O   2    1.4263     0.0000 
   O   3    1.4363     2.4753     0.0000 
   C   4    2.4834     1.4497     3.7980     0.0000 
   N   5    1.4335     2.4804     2.4853     2.8619     0.0000 
   C   6    3.6458     2.2899     4.7555     1.4439     4.2717     0.0000 
   C   7    3.6978     2.8637     5.0955     1.4231     3.6203     1.9280 
   C   8    2.0213     1.9282     3.4543     1.4183     1.6763     2.8531 

              C   7      C   8
              ----------------------
   C   7    0.0000 
   C   8    1.9445     0.0000 



ATOMIC CHARGES
   C   1    0.4408521672
   O   2   -0.4396984114
   O   3   -0.2227620474
   C   4    0.1379272719
   N   5   -0.0475475826
   C   6    0.0437428674
   C   7    0.0437428674
   C   8    0.0437428674


BOND ANGLES
   2    1    3   O3   C2   O2    119.696
   2    1    5   O3   C2  Nam    120.305
   3    1    5   O2   C2  Nam    119.998
   1    2    4   C2   O3   C3    119.425
   2    4    6   O3   C3   C3    104.627
   2    4    7   O3   C3   C3    170.857
   2    4    8   O3   C3   C3     84.488
   6    4    7   C3   C3   C3     84.516
   6    4    8   C3   C3   C3    170.885
   7    4    8   C3   C3   C3     86.369


TORSION ANGLES
   4    2    1    3    179.974
   4    2    1    5      0.026
   6    4    2    1    179.974
   7    4    2    1      0.026
   8    4    2    1      0.026