IN 251

5-isoquinolin-2-ium-2-ylpentyl(trimethyl)azanium dibromide

CAS: 64047-70-7

Molecular Formula	`C17H26Br2N2`
Molecular Weight	418.2 g/mol
Topological Polar Surface Area	3.9 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	6
Exact Mass	418.04422
Heavy Atoms	21
Complexity	256.0

Chemical Identifiers

CAS Number	64047-70-7
SMILES	`C[N+](C)(C)CCCCC[N+]1=CC2=CC=CC=C2C=C1.[Br-].[Br-]`
InChIKey	`UPQHUJSVEOJFCA-UHFFFAOYSA-L`

📖 Product Overview

IN 251 (CAS: 64047-70-7) is a chemical compound with molecular formula C17H26Br2N2 and molecular weight 418.2 g/mol. Its IUPAC systematic name is 5-isoquinolin-2-ium-2-ylpentyl(trimethyl)azanium dibromide. Topological Polar Surface Area 3.9 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 2 Rotatable Bonds 6 Exact Mass 418.04422 Heavy Atoms 21 Complexity 256.0 InChI Key: UPQHUJSVEOJFCA-UHFFFAOYSA-L. SMILES: C[N+](C)(C)CCCCC[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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