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3-aminocyclohexane-1-carbonitrile hydrochloride

3-aminocyclohexane-1-carbonitrile hydrochloride

Formula: C7H13ClN2

SMILES: Cl.NC1CCCC(C1)C#N

IUPAC: 3-aminocyclohexane-1-carbonitrile hydrochloride

InChI: InChI=1/C7H12N2.ClH/c8-5-6-2-1-3-7(9)4-6;/h6-7H,1-4,9H2;1H

Composition: C (52.34%), H (8.16%), Cl (22.07%), N (17.44%)

Molar Mass: 160.65

Atom Count: 23

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 160.0767261
Formal Charge 0
FSP3 0.86
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ZBUXGIYHCTWUTA-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 36.15
Topological Polar Surface Area 49.81
Polarizability 14.26
Ring Count 1
Rotatable Bond Count 0

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