Methyl-(phenylcyanomethyl)-diethylammonium iodide

[cyano(phenyl)methyl]-diethyl-methylazanium iodide

CAS: 64049-87-2

Molecular Formula	`C13H19IN2`
Molecular Weight	330.21 g/mol
Topological Polar Surface Area	23.8 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	4
Exact Mass	330.0593
Heavy Atoms	16
Complexity	228.0

Chemical Identifiers

CAS Number	64049-87-2
SMILES	`CC[N+](C)(CC)C(C#N)C1=CC=CC=C1.[I-]`
InChIKey	`XIJPUXDDUHPWJG-UHFFFAOYSA-M`

📖 Product Overview

Methyl-(phenylcyanomethyl)-diethylammonium iodide (CAS: 64049-87-2) is a chemical compound with molecular formula C13H19IN2 and molecular weight 330.21 g/mol. Its IUPAC systematic name is [cyano(phenyl)methyl]-diethyl-methylazanium iodide. Topological Polar Surface Area 23.8 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 2 Rotatable Bonds 4 Exact Mass 330.0593 Heavy Atoms 16 Complexity 228.0 InChI Key: XIJPUXDDUHPWJG-UHFFFAOYSA-M. SMILES: CC[N+](C)(CC)C(C#N)C1=CC=CC=C1.[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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