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4-(aminomethyl)piperidine |
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ID: CHH15541 CAS:7144-05-0 Supplier:ChemiK Co.,Ltd. SMILES:N1CCC(CC1)CN FORMULA: C6H14N2
MASS: 114.1888
EXACT MASS: 114.1156985
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 1.2961 0.7483 0.0000
C 4 1.4966 1.2960 0.7482 0.0000
C 5 1.2962 1.4966 1.2961 0.7483 0.0000
C 6 0.7484 1.2961 1.4966 1.2961 0.7483 0.0000
C 7 2.2449 1.9798 1.2960 0.7483 1.2961 1.9798
N 8 2.6981 2.5922 1.9798 1.2962 1.4966 2.2449
C 7 N 8
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C 7 0.0000
N 8 0.7484 0.0000
ATOMIC CHARGES
N 1 -0.2180496130
C 2 0.0887437575
C 3 0.0203356013
C 4 0.0219246284
C 5 0.0203356013
C 6 0.0887437575
C 7 0.1093529805
N 8 -0.1313867135
BOND ANGLES
6 1 2 C3 N3 C3 119.994
1 2 3 N3 C3 C3 120.005
7 4 5 C3 C3 C3 119.995
4 5 6 C3 C3 C3 119.995
2 1 6 C3 N3 C3 119.994
5 4 7 C3 C3 C3 119.995
4 7 8 C3 C3 N3 120.001
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
3 4 7 8 179.974
5 4 7 8 0.026
CHIRAL ATOMS
C 4 is chiral: counterclockwise
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