Isometheptene hydrochloride

N,6-dimethylhept-5-en-2-amine;hydrochloride

CAS: 6168-86-1

Molecular Formula	`C9H20ClN`
Molecular Weight	177.71 g/mol
Topological Polar Surface Area	12.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	1
Rotatable Bonds	4
Exact Mass	177.12843
Heavy Atoms	11
Complexity	101.0

Chemical Identifiers

CAS Number	6168-86-1
SMILES	`CC(CCC=C(C)C)NC.Cl`
InChIKey	`AUERTJOCDMCUAL-UHFFFAOYSA-N`

📖 Product Overview

Isometheptene hydrochloride (CAS: 6168-86-1) is a chemical compound with molecular formula C9H20ClN and molecular weight 177.71 g/mol. Its IUPAC systematic name is N,6-dimethylhept-5-en-2-amine;hydrochloride. Topological Polar Surface Area 12.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 1 Rotatable Bonds 4 Exact Mass 177.12843 Heavy Atoms 11 Complexity 101.0 InChI Key: AUERTJOCDMCUAL-UHFFFAOYSA-N. SMILES: CC(CCC=C(C)C)NC.Cl.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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