IN 181

6-isoquinolin-2-ium-2-ylhexyl(trimethyl)azanium dibromide

CAS: 64059-43-4

Molecular Formula	`C18H28Br2N2`
Molecular Weight	432.2 g/mol
Topological Polar Surface Area	3.9 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	7
Exact Mass	432.05988
Heavy Atoms	22
Complexity	269.0

Chemical Identifiers

CAS Number	64059-43-4
SMILES	`C[N+](C)(C)CCCCCC[N+]1=CC2=CC=CC=C2C=C1.[Br-].[Br-]`
InChIKey	`CQCCIWUTQBJFPB-UHFFFAOYSA-L`

📖 Product Overview

IN 181 (CAS: 64059-43-4) is a chemical compound with molecular formula C18H28Br2N2 and molecular weight 432.2 g/mol. Its IUPAC systematic name is 6-isoquinolin-2-ium-2-ylhexyl(trimethyl)azanium dibromide. Topological Polar Surface Area 3.9 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 2 Rotatable Bonds 7 Exact Mass 432.05988 Heavy Atoms 22 Complexity 269.0 InChI Key: CQCCIWUTQBJFPB-UHFFFAOYSA-L. SMILES: C[N+](C)(C)CCCCCC[N+]1=CC2=CC=CC=C2C=C1.[Br-].[Br-].

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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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