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4-(2-Aminoethyl)piperidine dihydrochloride |
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ID: CHH15518 CAS:90000-31-0 Supplier:ChemiK Co.,Ltd. SMILES:N1CCC(CC1)CCN.Cl.Cl FORMULA: C7H18Cl2N2
MASS: 201.1372
EXACT MASS: 200.0847039
INTERATOMIC DISTANCES
N 1 C 2 C 3 C 4 C 5 C 6
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N 1 0.0000
C 2 0.6174 0.0000
C 3 1.0693 0.6173 0.0000
C 4 1.2347 1.0693 0.6174 0.0000
C 5 1.0692 1.2347 1.0693 0.6173 0.0000
C 6 0.6173 1.0693 1.2347 1.0692 0.6173 0.0000
C 7 1.8521 1.6334 1.0694 0.6174 1.0693 1.6334
C 8 2.2260 2.1386 1.6334 1.0693 1.2348 1.8521
N 9 2.8291 2.6910 2.1386 1.6334 1.8521 2.4694
H 10 3.2668 3.2079 2.6911 2.1386 2.2260 2.8291
Cl 11 3.8555 3.7553 3.2080 2.6911 2.8292 3.4373
H 12 4.3215 4.2771 3.7553 3.2079 3.2668 3.8554
Cl 13 4.9001 4.8217 4.2772 3.7553 3.8555 4.4518
C 7 C 8 N 9 H 10 Cl 11 H 12
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C 7 0.0000
C 8 0.6173 0.0000
N 9 1.0692 0.6173 0.0000
H 10 1.6334 1.0693 0.6174 0.0000
Cl 11 2.1386 1.6334 1.0694 0.6174 0.0000
H 12 2.6909 2.1385 1.6334 1.0692 0.6173 0.0000
Cl 13 3.2079 2.6910 2.1386 1.6334 1.0692 0.6174
Cl 13
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Cl 13 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
H 10 0.1453996612
Cl 11 -0.1453996612
H 12 0.1453996612
Cl 13 -0.1453996612
BOND ANGLES
7 4 5 C3 C3 C3 120.004
4 5 6 C3 C3 C3 120.004
2 1 6 C3 N3 C3 119.997
5 4 7 C3 C3 C3 120.004
4 7 8 C3 C3 C3 120.004
6 1 2 C3 N3 C3 119.997
1 2 3 N3 C3 C3 119.999
TORSION ANGLES
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
6 1 2 3 0.026
CHIRAL ATOMS
C 4 is chiral: counterclockwise
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