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4-(2-AMINOETHYL)PIPERIDINE |
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ID: CHH15536 CAS:76025-62-2 Supplier:ChemiK Co.,Ltd. SMILES:N1CCC(CC1)CCN FORMULA: C7H16N2
MASS: 128.2153
EXACT MASS: 128.1313485
INTERATOMIC DISTANCES
N 1 C 2 C 3 C 4 C 5 C 6
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N 1 0.0000
C 2 0.8378 0.0000
C 3 1.4512 0.8379 0.0000
C 4 1.6757 1.4512 0.8378 0.0000
C 5 1.4512 1.6757 1.4512 0.8378 0.0000
C 6 0.8378 1.4512 1.6757 1.4512 0.8379 0.0000
C 7 2.5135 2.2167 1.4511 0.8378 1.4511 2.2167
C 8 3.0208 2.9024 2.2167 1.4511 1.6756 2.5135
N 9 3.8394 3.6520 2.9023 2.2166 2.5134 3.3513
C 7 C 8 N 9
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C 7 0.0000
C 8 0.8378 0.0000
N 9 1.4511 0.8378 0.0000
ATOMIC CHARGES
N 1 -0.2180508404
C 2 0.0886970379
C 3 0.0188978072
C 4 0.0043476438
C 5 0.0188978072
C 6 0.0886970379
C 7 0.0205932077
C 8 0.1093076279
N 9 -0.1313873291
BOND ANGLES
6 1 2 C3 N3 C3 120.003
1 2 3 N3 C3 C3 119.998
7 4 5 C3 C3 C3 119.998
4 5 6 C3 C3 C3 119.998
2 1 6 C3 N3 C3 120.003
5 4 7 C3 C3 C3 119.998
4 7 8 C3 C3 C3 119.998
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
4 7 8 9 179.974
3 4 7 8 179.974
5 4 7 8 0.026
CHIRAL ATOMS
C 4 is chiral: counterclockwise
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