Hedaquinium chloride

2-(16-isoquinolin-2-ium-2-ylhexadecyl)isoquinolin-2-ium dichloride

CAS: 4310-89-8

Molecular Formula	`C34H46Cl2N2`
Molecular Weight	553.6 g/mol
Topological Polar Surface Area	7.8 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	17
Exact Mass	552.30383
Heavy Atoms	38
Complexity	499.0

Chemical Identifiers

CAS Number	4310-89-8
SMILES	`C1=CC=C2C=[N+](C=CC2=C1)CCCCCCCCCCCCCCCC[N+]3=CC4=CC=CC=C4C=C3.[Cl-].[Cl-]`
InChIKey	`KZUZUJNAVUAVOW-UHFFFAOYSA-L`

📖 Product Overview

Hedaquinium chloride (CAS: 4310-89-8) is a chemical compound with molecular formula C34H46Cl2N2 and molecular weight 553.6 g/mol. Its IUPAC systematic name is 2-(16-isoquinolin-2-ium-2-ylhexadecyl)isoquinolin-2-ium dichloride. Topological Polar Surface Area 7.8 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 2 Rotatable Bonds 17 Exact Mass 552.30383 Heavy Atoms 38 Complexity 499.0 InChI Key: KZUZUJNAVUAVOW-UHFFFAOYSA-L. SMILES: C1=CC=C2C=[N+](C=CC2=C1)CCCCCCCCCCCCCCCC[N+]3=CC4=CC=CC=C4C=C3.[Cl-].[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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