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4-(BOC-AMINO)-PIPERIDINE |
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ID: CHH15556 CAS:73874-95-0 Supplier:ChemiK Co.,Ltd. SMILES:N1CCC(CC1)NC(=O)OC(C)(C)C FORMULA: C10H20N2O2
MASS: 200.2780
EXACT MASS: 200.1524779
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 1.4965 1.2960 0.7482 0.0000
C 5 1.2960 1.4965 1.2960 0.7483 0.0000
C 6 0.7483 1.2961 1.4966 1.2961 0.7483 0.0000
N 7 2.2448 1.9798 1.2961 0.7483 1.2961 1.9798
C 8 2.6980 2.5921 1.9798 1.2961 1.4966 2.2449
O 9 2.5921 2.6980 2.2448 1.4966 1.2961 1.9798
O 10 3.4291 3.2617 2.5922 1.9799 2.2449 2.9932
C 11 3.9596 3.8882 3.2617 2.5922 2.6980 3.4291
C 12 4.4853 4.3114 3.6248 3.0364 3.2786 4.0247
C 13 4.5516 4.5516 3.9596 3.2617 3.2617 3.9596
C 14 3.5155 3.5734 3.0429 2.3108 2.2204 2.9051
N 7 C 8 O 9 O 10 C 11 C 12
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N 7 0.0000
C 8 0.7482 0.0000
O 9 1.2960 0.7483 0.0000
O 10 1.2961 0.7483 1.2961 0.0000
C 11 1.9798 1.2961 1.4966 0.7482 0.0000
C 12 2.3344 1.7916 2.1771 1.0583 0.7483 0.0000
C 13 2.6980 1.9798 1.9798 1.4965 0.7483 1.0582
C 14 1.8734 1.1270 0.9274 1.0583 0.7483 1.4966
C 13 C 14
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C 13 0.0000
C 14 1.0582 0.0000
ATOMIC CHARGES
N 1 -0.2179328005
C 2 0.0904661067
C 3 0.0406159607
C 4 0.1015826681
C 5 0.0406159607
C 6 0.0904661067
N 7 -0.1704022735
C 8 0.4208501705
O 9 -0.2245679033
O 10 -0.4407976458
C 11 0.1378771122
C 12 0.0437421792
C 13 0.0437421792
C 14 0.0437421792
BOND ANGLES
6 1 2 C3 N3 C3 120.005
1 2 3 N3 C3 C3 119.998
7 4 5 Nam C3 C3 119.995
4 5 6 C3 C3 C3 120.005
2 1 6 C3 N3 C3 120.005
10 8 9 O3 C2 O2 119.995
9 8 10 O2 C2 O3 119.995
8 10 11 C2 O3 C3 120.007
13 11 12 C3 C3 C3 90.000
14 11 12 C3 C3 C3 179.974
12 11 13 C3 C3 C3 90.000
14 11 13 C3 C3 C3 89.990
12 11 14 C3 C3 C3 179.974
13 11 14 C3 C3 C3 89.990
5 4 7 C3 C3 Nam 119.995
4 7 8 C3 Nam C2 120.007
TORSION ANGLES
6 1 2 3 0.026
1 2 3 4 0.026
2 3 4 5 0.026
2 3 4 7 179.974
3 4 5 6 0.026
7 4 5 6 179.974
4 5 6 1 0.026
2 1 6 5 0.026
9 8 10 11 0.026
7 8 10 11 179.974
8 10 11 12 179.974
8 10 11 13 0.026
8 10 11 14 0.026
4 7 8 9 0.026
4 7 8 10 179.974
3 4 7 8 179.974
5 4 7 8 0.026
CHIRAL ATOMS
C 4 is chiral: counterclockwise
C 11 is chiral: counterclockwise
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