trimethyl-[3-(1-methylisoquinolin-2-ium-2-yl)propyl]azanium dibromide

CAS: 64047-58-1

Molecular Formula	`C16H24Br2N2`
Molecular Weight	404.2 g/mol
Topological Polar Surface Area	3.9 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	4
Exact Mass	404.02856
Heavy Atoms	20
Complexity	256.0

Chemical Identifiers

CAS Number	64047-58-1
SMILES	`CC1=[N+](C=CC2=CC=CC=C12)CCC[N+](C)(C)C.[Br-].[Br-]`
InChIKey	`KXQOFXMOHFZTQD-UHFFFAOYSA-L`

📖 Product Overview

trimethyl-[3-(1-methylisoquinolin-2-ium-2-yl)propyl]azanium dibromide (CAS: 64047-58-1) is a chemical compound with molecular formula C16H24Br2N2 and molecular weight 404.2 g/mol. Its IUPAC systematic name is trimethyl-[3-(1-methylisoquinolin-2-ium-2-yl)propyl]azanium dibromide. Topological Polar Surface Area 3.9 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 2 Rotatable Bonds 4 Exact Mass 404.02856 Heavy Atoms 20 Complexity 256.0 InChI Key: KXQOFXMOHFZTQD-UHFFFAOYSA-L. SMILES: CC1=[N+](C=CC2=CC=CC=C12)CCC[N+](C)(C)C.[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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📚 Academic Support

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