p-Bromomethylbenzoylcholine iodide

2-[4-(bromomethyl)benzoyl]oxyethyl-trimethylazanium iodide

CAS: 54399-04-1

Molecular Formula	`C13H19BrINO2`
Molecular Weight	428.1 g/mol
Topological Polar Surface Area	26.3 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	6
Exact Mass	426.9644
Heavy Atoms	18
Complexity	242.0

Chemical Identifiers

CAS Number	54399-04-1
SMILES	`C[N+](C)(C)CCOC(=O)C1=CC=C(C=C1)CBr.[I-]`
InChIKey	`ZSHJZRPVBKCWPJ-UHFFFAOYSA-M`

📖 Product Overview

p-Bromomethylbenzoylcholine iodide (CAS: 54399-04-1) is a chemical compound with molecular formula C13H19BrINO2 and molecular weight 428.1 g/mol. Its IUPAC systematic name is 2-[4-(bromomethyl)benzoyl]oxyethyl-trimethylazanium iodide. Topological Polar Surface Area 26.3 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 6 Exact Mass 426.9644 Heavy Atoms 18 Complexity 242.0 InChI Key: ZSHJZRPVBKCWPJ-UHFFFAOYSA-M. SMILES: C[N+](C)(C)CCOC(=O)C1=CC=C(C=C1)CBr.[I-].

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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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