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L(+)-2-Aminobutyric acid
L(+)-2-Aminobutyric acid ID: API-44164
CAS:1492-24-6
Supplier:APIchem

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SMILES:OC(=O)C(N)CC	ChemMol.com
FORMULA: C4H9NO2
MASS: 103.1198
EXACT MASS: 103.0633285
INTERATOMIC DISTANCES

              O   1      O   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    1.7320     0.0000 
   N   3    2.6458     2.0000     0.0000 
   C   4    1.7320     1.7320     1.0001     0.0000 
   C   5    2.0000     2.6457     1.7321     1.0000     0.0000 
   C   6    3.0000     3.4641     2.0000     1.7321     1.0001     0.0000 
   C   7    1.0000     1.0000     1.7321     1.0000     1.7320     2.6458 
   H   8    1.9293     1.0828     0.9341     0.8500     1.8500     2.5045 
   H   9    2.1943     3.1512     2.3451     1.5967     0.6200     1.0813 
   H  10    1.4332     2.4059     2.0295     1.0812     0.6199     1.5968 
   H  11    3.0634     3.1995     1.4956     1.5201     1.1767     0.6200 
   H  12    3.6200     4.0130     2.3716     2.2901     1.6200     0.6200 
   H  13    3.0634     3.8121     2.5558     2.1114     1.1766     0.6200 
   H  14    3.1408     2.6200     0.6200     1.4158     1.8397     1.7732 
   H  15    2.8292     1.7733     0.6200     1.4158     2.2901     2.6200 
   H  16    0.6201     1.8397     3.1409     2.2901     2.6200     3.6201 

              C   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   H   8    0.9341     0.0000 
   H   9    2.1829     2.4418     0.0000 
   H  10    1.4155     1.8462     0.7971     0.0000 
   H  11    2.5121     2.1611     1.5201     1.7880     0.0000 
   H  12    3.2380     3.0073     1.6309     2.2128     0.8768     0.0000 
   H  13    2.9083     2.9400     0.8924     1.6343     1.2399     0.8768 
   H  14    2.2901     1.5505     2.3980     2.2859     1.1752     2.0000 
   H  15    1.8397     0.9072     2.9097     2.4959     2.1060     2.9788 
   H  16    1.4158     2.3324     2.7952     2.0485     3.6728     4.2400 

              H  13      H  14      H  15      H  16
              --------------------------------------------
   H  13    0.0000 
   H  14    2.3825     0.0000 
   H  15    3.1721     1.0739     0.0000 
   H  16    3.6728     3.6740     3.2380     0.0000 



ATOMIC CHARGES
   O   1   -0.4795344221
   O   2   -0.2492543881
   N   3   -0.3184082846
   C   4    0.1029920041
   C   5   -0.0302180277
   C   6   -0.0633534465
   C   7    0.3217037790
   H   8    0.0573772056
   H   9    0.0282843196
   H  10    0.0282843196
   H  11    0.0230377749
   H  12    0.0230377749
   H  13    0.0230377749
   H  14    0.1189552080
   H  15    0.1189552080
   H  16    0.2951032005


BOND ANGLES
   7    1   16   C2   O3   HO    120.002
   4    3   14   C3   N3   HC    120.000
   4    3   15   C3   N3   HC    119.998
  14    3   15   HC   N3   HC    120.002
   3    4    5   N3   C3   C3    119.998
   3    4    7   N3   C3   C2    120.001
   3    4    8   N3   C3   HC     60.002
   5    4    7   C3   C3   C2    120.001
   5    4    8   C3   C3   HC    179.974
   7    4    8   C2   C3   HC     59.999
   4    5    6   C3   C3   C3    119.998
   4    5    9   C3   C3   HC    160.004
   4    5   10   C3   C3   HC     79.995
   6    5    9   C3   C3   HC     79.998
   6    5   10   C3   C3   HC    160.007
   9    5   10   HC   C3   HC     80.009
   5    6   11   C3   C3   HC     90.004
   5    6   12   C3   C3   HC    179.974
   5    6   13   C3   C3   HC     89.996
  11    6   12   HC   C3   HC     90.000
  11    6   13   HC   C3   HC    179.974
  12    6   13   HC   C3   HC     90.000
   1    7    2   O3   C2   O2    120.001
   1    7    4   O3   C2   C3    119.999
   2    7    4   O2   C2   C3    120.001


TORSION ANGLES
  16    1    7    2      0.026
  16    1    7    4    179.974
  14    3    4    5      0.026
  14    3    4    7    179.974
  14    3    4    8    179.974
  15    3    4    5    179.974
  15    3    4    7      0.026
  15    3    4    8      0.026
   3    4    5    6      0.026
   3    4    5    9    179.974
   3    4    5   10    179.974
   7    4    5    6    179.974
   7    4    5    9      0.026
   7    4    5   10      0.026
   8    4    5    6    180.000
   8    4    5    9    180.000
   8    4    5   10    180.000
   3    4    7    1    179.974
   3    4    7    2      0.026
   5    4    7    1      0.026
   5    4    7    2    179.974
   8    4    7    1    179.974
   8    4    7    2      0.026
   4    5    6   11      0.026
   4    5    6   12    179.974
   4    5    6   13    179.974
   9    5    6   11    179.974
   9    5    6   12      0.026
   9    5    6   13      0.026
  10    5    6   11    179.974
  10    5    6   12      0.026
  10    5    6   13      0.026


CHIRAL ATOMS
  10    5    6   13      0.026