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2-AMINOISOBUTYRIC ACID
2-AMINOISOBUTYRIC ACID
ID: BP-12097
CAS:62-57-7
Supplier:BroadPharm

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SMILES:C(=O)(C(N)(C)C)O	
FORMULA: C4H9NO2
MASS: 103.1198
EXACT MASS: 103.0633285
INTERATOMIC DISTANCES

              C   1      C   2      O   3      N   4      O   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.4339     0.0000 
   O   3    1.4320     2.4956     0.0000 
   N   4    2.2726     1.4153     3.6396     0.0000 
   O   5    1.4331     2.4729     2.4776     2.5211     0.0000 
   C   6    2.8554     1.4345     3.7071     1.9273     3.8550     0.0000 
   C   7    1.9307     1.4455     2.0389     2.8499     3.3438     1.9433 

              C   7
              -----------
   C   7    0.0000 



ATOMIC CHARGES
   C   1    0.3799455963
   C   2    0.1699290210
   O   3   -0.2441192146
   N   4   -0.1228689080
   O   5   -0.2441192146
   C   6    0.0306163599
   C   7    0.0306163599


BOND ANGLES
   2    1    3   C3  Cac O.co2    121.098
   2    1    5   C3  Cac O.co2    119.201
   3    1    5 O.co2  Cac O.co2    119.701
   1    2    4  Cac   C3   N3    105.808
   1    2    6  Cac   C3   C3    169.084
   1    2    7  Cac   C3   C3     84.214
   4    2    6   N3   C3   C3     85.108
   4    2    7   N3   C3   C3    169.978
   6    2    7   C3   C3   C3     84.870


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