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N-Cyclohexylethanolamine
N-Cyclohexylethanolamine
ID: BP-10467
CAS:2842-38-8
Supplier:BroadPharm

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SMILES:N(C1CCCCC1)CCO	
FORMULA: C8H17NO
MASS: 143.2267
EXACT MASS: 143.1310142
INTERATOMIC DISTANCES

              N   1      C   2      O   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.2507     0.0000 
   O   3    3.3096     4.3333     0.0000 
   C   4    1.2543     2.1708     2.1625     0.0000 
   C   5    2.1667     3.3096     1.2507     1.2471     0.0000 
   C   6    2.1654     1.2500     4.5100     2.5050     3.7521     0.0000 
   C   7    2.1625     1.2471     5.4485     3.3096     4.3292     2.1634 
   C   8    3.3054     2.1625     6.4958     4.3333     5.4485     2.4978 
   C   9    3.3055     2.1634     5.7281     3.7521     4.9992     1.2471 
   C  10    3.7484     2.4978     6.6150     4.5100     5.7281     2.1625 

              C   7      C   8      C   9      C  10
              --------------------------------------------
   C   7    0.0000 
   C   8    1.2507     0.0000 
   C   9    2.5000     2.1654     0.0000 
   C  10    2.1654     1.2500     1.2507     0.0000 



ATOMIC CHARGES
   N   1   -0.2166977953
   C   2    0.0728717095
   O   3   -0.2188120102
   C   4    0.1241101767
   C   5    0.2008096296
   C   6    0.0173826232
   C   7    0.0173826232
   C   8    0.0014301968
   C   9    0.0014301968
   C  10    0.0000926498


BOND ANGLES
  10    9    6   C3   C3   C3    119.941
   9    6    2   C3   C3   C3    120.077
   6    9   10   C3   C3   C3    119.941
   9   10    8   C3   C3   C3    119.982


TORSION ANGLES
   6    2    1    4      0.026
   7    2    1    4    179.974
   5    4    1    2    179.974
   3    5    4    1    179.974
   9    6    2    1    179.974
   9    6    2    7      0.026
   8    7    2    1    179.974
   8    7    2    6      0.026
  10    8    7    2      0.026
  10    9    6    2      0.026
   9   10    8    7      0.026
   6    9   10    8      0.026


CHIRAL ATOMS
   C     2 is chiral: counterclockwise