IN 257

2-(3-pyridin-1-ium-1-ylpropyl)isoquinolin-2-ium dibromide

CAS: 64047-60-5

Molecular Formula	`C17H18Br2N2`
Molecular Weight	410.1 g/mol
Topological Polar Surface Area	7.8 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	4
Exact Mass	409.98163
Heavy Atoms	21
Complexity	260.0

Chemical Identifiers

CAS Number	64047-60-5
SMILES	`C1=CC=[N+](C=C1)CCC[N+]2=CC3=CC=CC=C3C=C2.[Br-].[Br-]`
InChIKey	`LLAFVHXEICRNDX-UHFFFAOYSA-L`

📖 Product Overview

IN 257 (CAS: 64047-60-5) is a chemical compound with molecular formula C17H18Br2N2 and molecular weight 410.1 g/mol. Its IUPAC systematic name is 2-(3-pyridin-1-ium-1-ylpropyl)isoquinolin-2-ium dibromide. Topological Polar Surface Area 7.8 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 2 Rotatable Bonds 4 Exact Mass 409.98163 Heavy Atoms 21 Complexity 260.0 InChI Key: LLAFVHXEICRNDX-UHFFFAOYSA-L. SMILES: C1=CC=[N+](C=C1)CCC[N+]2=CC3=CC=CC=C3C=C2.[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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