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3-Hydroxypiperidine.HCl |
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ID: CHH15543 CAS:64051-79-2 Supplier:ChemiK Co.,Ltd. SMILES:N1CC(CCC1)O.Cl FORMULA: C5H12ClNO
MASS: 137.6079
EXACT MASS: 137.0607417
INTERATOMIC DISTANCES
N 1 C 2 C 3 C 4 C 5 C 6
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N 1 0.0000
C 2 0.7483 0.0000
C 3 1.2960 0.7482 0.0000
C 4 1.4966 1.2961 0.7483 0.0000
C 5 1.2961 1.4966 1.2961 0.7483 0.0000
C 6 0.7482 1.2960 1.4965 1.2961 0.7483 0.0000
O 7 1.9798 1.2960 0.7483 1.2961 1.9798 2.2448
H 8 2.5922 1.9798 1.2962 1.4966 2.2449 2.6980
Cl 9 3.2618 2.5922 1.9799 2.2449 2.9932 3.4291
O 7 H 8 Cl 9
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O 7 0.0000
H 8 0.7484 0.0000
Cl 9 1.2962 0.7483 0.0000
ATOMIC CHARGES
N 1 -0.2153750924
C 2 0.1214381541
C 3 0.1693333220
C 4 0.0358725450
C 5 0.0214577949
C 6 0.0888753103
O 7 -0.2216020338
H 8 0.1453996612
Cl 9 -0.1453996612
BOND ANGLES
6 1 2 C3 N3 C3 119.998
1 2 3 N3 C3 C3 119.998
7 3 4 O3 C3 C3 119.995
3 4 5 C3 C3 C3 119.995
2 1 6 C3 N3 C3 119.998
4 3 7 C3 C3 O3 119.995
TORSION ANGLES
6 1 2 3 0.026
1 2 3 4 0.026
1 2 3 7 179.974
2 3 4 5 0.026
7 3 4 5 179.974
3 4 5 6 0.026
4 5 6 1 0.026
2 1 6 5 0.026
CHIRAL ATOMS
C 3 is chiral: counterclockwise
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