benzyl-(2-iodoethyl)-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]azanium iodide

CAS: 16793-71-8

Molecular Formula	`C21H29I2NO`
Molecular Weight	565.3 g/mol
Topological Polar Surface Area	13.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	2
Rotatable Bonds	9
Exact Mass	565.0339
Heavy Atoms	25
Complexity	330.0

Chemical Identifiers

CAS Number	16793-71-8
SMILES	`CC1=CC(=C(C=C1)C(C)C)OCC[NH+](CCI)CC2=CC=CC=C2.[I-]`
InChIKey	`QJEUHSJTDILZBD-UHFFFAOYSA-N`

📖 Product Overview

benzyl-(2-iodoethyl)-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]azanium iodide (CAS: 16793-71-8) is a chemical compound with molecular formula C21H29I2NO and molecular weight 565.3 g/mol. Its IUPAC systematic name is benzyl-(2-iodoethyl)-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]azanium iodide. Topological Polar Surface Area 13.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 2 Rotatable Bonds 9 Exact Mass 565.0339 Heavy Atoms 25 Complexity 330.0 InChI Key: QJEUHSJTDILZBD-UHFFFAOYSA-N. SMILES: CC1=CC(=C(C=C1)C(C)C)OCC[NH+](CCI)CC2=CC=CC=C2.[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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