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