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1-(2'-Aminoethyl)-piperidine hydrochloride |
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ID: CHH15527 CAS:27578-60-5 Supplier:ChemiK Co.,Ltd. SMILES:N1(CCCCC1)CCN.Cl FORMULA: C7H17ClN2
MASS: 164.6763
EXACT MASS: 164.1080262
INTERATOMIC DISTANCES
N 1 C 2 C 3 C 4 C 5 C 6
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N 1 0.0000
C 2 0.9242 0.0000
C 3 1.6008 0.9242 0.0000
C 4 1.8484 1.6008 0.9242 0.0000
C 5 1.6007 1.8483 1.6007 0.9241 0.0000
C 6 0.9241 1.6007 1.8483 1.6007 0.9242 0.0000
C 7 0.9242 1.6008 2.4452 2.7726 2.4452 1.6007
C 8 1.6008 1.8484 2.7726 3.3323 3.2015 2.4452
N 9 2.4452 2.7726 3.6968 4.2352 4.0285 3.2015
H 10 3.2015 3.3323 4.2352 4.8904 4.8023 4.0285
Cl 11 4.0285 4.2352 5.1457 5.7716 5.6217 4.8023
C 7 C 8 N 9 H 10 Cl 11
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C 7 0.0000
C 8 0.9242 0.0000
N 9 1.6008 0.9242 0.0000
H 10 2.4452 1.6008 0.9242 0.0000
Cl 11 3.2015 2.4452 1.6008 0.9242 0.0000
ATOMIC CHARGES
N 1 -0.2714225237
C 2 0.0721352208
C 3 0.0173737874
C 4 0.0028557938
C 5 0.0173737874
C 6 0.0721352208
C 7 0.0928319935
C 8 0.1265752040
N 9 -0.1298584840
H 10 0.1453996612
Cl 11 -0.1453996612
BOND ANGLES
6 1 2 C3 N3 C3 119.998
1 2 3 N3 C3 C3 119.999
7 1 2 C3 N3 C3 119.999
1 2 3 N3 C3 C3 119.999
2 1 6 C3 N3 C3 119.998
7 1 6 C3 N3 C3 120.003
2 1 7 C3 N3 C3 119.999
1 7 8 N3 C3 C3 119.999
6 1 7 C3 N3 C3 120.003
1 7 8 N3 C3 C3 119.999
TORSION ANGLES
6 1 2 3 0.026
7 1 2 3 179.974
1 2 3 4 0.026
2 3 4 5 0.026
3 4 5 6 0.026
4 5 6 1 0.026
2 1 6 5 0.026
7 1 6 5 179.974
1 7 8 9 179.974
2 1 7 8 0.026
6 1 7 8 179.974
CHIRAL ATOMS
N 1 is chiral: counterclockwise
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