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(R)-3-BOC-aminopiperidine |
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ID: CHH15540 CAS:309956-78-3 Supplier:ChemiK Co.,Ltd. SMILES:N1C[C@@H](CCC1)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 0.7484 0.0000
C 3 1.2961 0.7483 0.0000
C 4 1.4966 1.2961 0.7483 0.0000
C 5 1.2961 1.4966 1.2960 0.7482 0.0000
C 6 0.7483 1.2962 1.4966 1.2961 0.7483 0.0000
N 7 1.9799 1.2961 0.7484 1.2962 1.9798 2.2450
C 8 2.5922 1.9798 1.2961 1.4966 2.2448 2.6980
O 9 2.6980 2.2449 1.4966 1.2961 1.9798 2.5922
O 10 3.2618 2.5922 1.9799 2.2450 2.9932 3.4292
C 11 3.8883 3.2617 2.5922 2.6980 3.4291 3.9597
C 12 4.3114 3.6247 3.0363 3.2785 4.0247 4.4853
C 13 4.5517 3.9596 3.2617 3.2617 3.9596 4.5517
C 14 3.5734 3.0429 2.3108 2.2204 2.9051 3.5156
N 7 C 8 O 9 O 10 C 11 C 12
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N 7 0.0000
C 8 0.7483 0.0000
O 9 1.2961 0.7483 0.0000
O 10 1.2961 0.7484 1.2962 0.0000
C 11 1.9798 1.2961 1.4966 0.7483 0.0000
C 12 2.3343 1.7915 2.1770 1.0582 0.7483 0.0000
C 13 2.6980 1.9798 1.9798 1.4965 0.7482 1.0583
C 14 1.8734 1.1269 0.9274 1.0583 0.7482 1.4966
C 13 C 14
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C 13 0.0000
C 14 1.0582 0.0000
ATOMIC CHARGES
N 1 -0.2162384657
C 2 0.1103631853
C 3 0.1160838389
C 4 0.0247407445
C 5 0.0206170429
C 6 0.0888191453
N 7 -0.1690163951
C 8 0.4208918118
O 9 -0.2245672942
O 10 -0.4407972657
C 11 0.1378771144
C 12 0.0437421792
C 13 0.0437421792
C 14 0.0437421792
BOND ANGLES
6 1 2 C3 N3 C3 120.001
1 2 3 N3 C3 C3 119.994
7 3 4 Nam C3 C3 120.001
3 4 5 C3 C3 C3 119.998
2 1 6 C3 N3 C3 120.001
10 8 9 O3 C2 O2 120.001
9 8 10 O2 C2 O3 120.001
8 10 11 C2 O3 C3 119.994
13 11 12 C3 C3 C3 90.004
14 11 12 C3 C3 C3 179.974
12 11 13 C3 C3 C3 90.004
14 11 13 C3 C3 C3 90.000
12 11 14 C3 C3 C3 179.974
13 11 14 C3 C3 C3 90.000
4 3 7 C3 C3 Nam 120.001
3 7 8 C3 Nam C2 119.994
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
9 8 10 11 0.026
7 8 10 11 179.974
8 10 11 12 179.974
8 10 11 13 179.974
8 10 11 14 0.026
3 7 8 9 0.026
3 7 8 10 179.974
2 3 7 8 179.974
4 3 7 8 0.026
CHIRAL ATOMS
C 3 is chiral: clockwise
C 11 is chiral: counterclockwise
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