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Products Information

1-aminopropan-2-ol
1-aminopropan-2-ol ID: AN-23971
CAS:78-96-6
Supplier:AN PharmaTech Co Ltd

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SMILES:OC(CN)C	4
FORMULA: C3H9NO
MASS: 75.1097
EXACT MASS: 75.0684139
INTERATOMIC DISTANCES

              O   1      N   2      C   3      C   4      C   5      H   6
              ------------------------------------------------------------------
   O   1    0.0000 
   N   2    2.6458     0.0000 
   C   3    1.0001     1.7320     0.0000 
   C   4    1.7321     1.0000     1.0000     0.0000 
   C   5    1.7321     2.0000     1.0000     1.7320     0.0000 
   H   6    0.9341     1.9293     0.8500     0.9341     1.8500     0.0000 
   H   7    2.1829     1.0813     1.5967     0.6200     2.3451     1.2707 
   H   8    1.4157     1.5967     1.0813     0.6200     2.0296     0.4839 
   H   9    1.5201     2.5558     1.1766     2.1114     0.6200     1.9511 
   H  10    2.2901     2.3715     1.6200     2.2901     0.6200     2.4700 
   H  11    2.1115     1.4955     1.1766     1.5200     0.6200     1.9511 
   H  12    3.1409     0.6201     2.2901     1.4158     2.6200     2.3324 
   H  13    2.8292     0.6200     1.8396     1.4158     1.7732     2.2717 
   H  14    0.6200     3.1408     1.4158     2.2901     1.8397     1.5505 

              H   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   H   7    0.0000 
   H   8    0.7970     0.0000 
   H   9    2.7298     2.2546     0.0000 
   H  10    2.8867     2.6368     0.8768     0.0000 
   H  11    2.0775     1.9809     1.2400     0.8768     0.0000 
   H  12    1.2047     1.9203     3.1721     2.9788     2.1060     0.0000 
   H  13    1.6621     2.0354     2.3825     2.0000     1.1751     1.0739 
   H  14    2.7806     2.0285     1.4245     2.2901     2.3470     3.6740 

              H  13      H  14
              ----------------------
   H  13    0.0000 
   H  14    3.2380     0.0000 



ATOMIC CHARGES
   O   1   -0.3908112794
   N   2   -0.3276713703
   C   3    0.0646659539
   C   4    0.0190115966
   C   5   -0.0377555984
   H   6    0.0602952628
   H   7    0.0447001907
   H   8    0.0447001907
   H   9    0.0254834121
   H  10    0.0254834121
   H  11    0.0254834121
   H  12    0.1182975685
   H  13    0.1182975685
   H  14    0.2098196803


BOND ANGLES
   3    1   14   C3   O3   HO    120.000
   4    2   12   C3   N3   HC    120.002
   4    2   13   C3   N3   HC    120.001
  12    2   13   HC   N3   HC    119.997
   1    3    4   O3   C3   C3    120.001
   1    3    5   O3   C3   C3    119.998
   1    3    6   O3   C3   HC     60.002
   4    3    5   C3   C3   C3    120.001
   4    3    6   C3   C3   HC     59.999
   5    3    6   C3   C3   HC    179.974
   2    4    3   N3   C3   C3    119.999
   2    4    7   N3   C3   HC     80.006
   2    4    8   N3   C3   HC    159.996
   3    4    7   C3   C3   HC    159.996
   3    4    8   C3   C3   HC     80.006
   7    4    8   HC   C3   HC     79.990
   3    5    9   C3   C3   HC     90.000
   3    5   10   C3   C3   HC    179.974
   3    5   11   C3   C3   HC     90.000
   9    5   10   HC   C3   HC     90.000
   9    5   11   HC   C3   HC    179.974
  10    5   11   HC   C3   HC     90.000


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


CHIRAL ATOMS
   6    3    5   11    180.000