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CYCLOHEXANEMETHYLAMINE
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ID: BP-10455
CAS:3218-02-8 Supplier:BroadPharm SMILES:NCC1CCCCC1 FORMULA: C7H15N
MASS: 113.2007
EXACT MASS: 113.1204495
INTERATOMIC DISTANCES
N 1 C 2 C 3 C 4 C 5 C 6
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N 1 0.0000
C 2 2.4952 0.0000
C 3 1.4237 1.4467 0.0000
C 4 3.7934 1.4308 2.4866 0.0000
C 5 2.8676 1.4224 2.4741 2.4866 0.0000
C 6 4.2939 2.4588 3.7776 2.8640 1.4264 0.0000
C 7 4.9606 2.4655 3.7874 1.4273 2.8662 2.4825
C 8 5.1720 2.8499 4.2966 2.4771 2.4906 1.4477
C 7 C 8
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C 7 0.0000
C 8 1.4257 0.0000
ATOMIC CHARGES
N 1 -0.1313879553
C 2 0.0190632718
C 3 0.1092597388
C 4 0.0014848495
C 5 0.0014848495
C 6 0.0000470315
C 7 0.0000470315
C 8 0.0000011827
BOND ANGLES
8 7 4 C3 C3 C3 120.513
7 4 2 C3 C3 C3 119.228
4 7 8 C3 C3 C3 120.513
7 8 6 C3 C3 C3 119.524
TORSION ANGLES
4 2 3 1 179.974
5 2 3 1 0.026
7 4 2 3 179.974
7 4 2 5 0.026
6 5 2 3 179.974
6 5 2 4 0.026
8 6 5 2 0.026
8 7 4 2 0.026
7 8 6 5 0.026
4 7 8 6 0.026
CHIRAL ATOMS
C 2 is chiral: counterclockwise
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