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N-hexylcyclopentanamine |
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ID: BBC/414 CAS:20007-10-7 Supplier:Aronis SMILES:N(C1CCCC1)CCCCCC FORMULA: C11H23N
MASS: 169.3070
EXACT MASS: 169.1830497
INTERATOMIC DISTANCES
N 1 C 2 C 3 C 4 C 5 C 6
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N 1 0.0000
C 2 1.3349 0.0000
C 3 1.3271 2.3022 0.0000
C 4 2.3806 1.3374 2.7793 0.0000
C 5 2.3778 1.3261 3.5590 2.1465 0.0000
C 6 2.3031 3.5219 1.3336 4.1127 4.6786 0.0000
C 7 5.7950 6.9131 4.6109 7.1773 8.1472 3.5158
C 8 4.6027 5.7979 3.5216 6.2284 6.9778 2.2996
C 9 3.5174 4.6109 2.3087 4.9344 5.8514 1.3249
C 10 6.9138 8.0976 5.8065 8.4487 9.2885 4.6108
C 11 3.4410 2.1458 4.4227 2.1460 1.3160 5.6673
C 12 3.4489 2.1560 4.0677 1.3250 2.1465 5.3948
C 7 C 8 C 9 C 10 C 11 C 12
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C 7 0.0000
C 8 1.3333 0.0000
C 9 2.3022 1.3269 0.0000
C 10 1.3335 2.3112 3.5218 0.0000
C 11 9.0222 7.9364 6.7241 10.2290 0.0000
C 12 8.5020 7.5462 6.2574 9.7733 1.3336 0.0000
ATOMIC CHARGES
N 1 -0.2194643709
C 2 0.0727762307
C 3 0.0886434800
C 4 0.0173819660
C 5 0.0173819660
C 6 0.0188042774
C 7 0.0000005910
C 8 0.0000469340
C 9 0.0014770677
C 10 0.0000000024
C 11 0.0014759279
C 12 0.0014759279
BOND ANGLES
11 12 4 C3 C3 C3 107.643
12 4 2 C3 C3 C3 108.149
4 12 11 C3 C3 C3 107.643
12 11 5 C3 C3 C3 108.209
TORSION ANGLES
4 2 1 3 0.026
5 2 1 3 179.974
6 3 1 2 179.974
12 4 2 1 179.974
12 4 2 5 0.026
11 5 2 1 179.974
11 5 2 4 0.026
9 6 3 1 179.974
10 7 8 9 179.974
7 8 9 6 179.974
8 9 6 3 179.974
12 11 5 2 0.026
11 12 4 2 0.026
4 12 11 5 0.026
CHIRAL ATOMS
C 2 is chiral: counterclockwise
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