diethyl-methyl-[2-[2-(4-phenylphenyl)acetyl]oxyethyl]azanium iodide

CAS: 64048-45-9

Molecular Formula	`C21H28INO2`
Molecular Weight	453.4 g/mol
Topological Polar Surface Area	26.3 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	9
Exact Mass	453.1165
Heavy Atoms	25
Complexity	364.0

Chemical Identifiers

CAS Number	64048-45-9
SMILES	`CC[N+](C)(CC)CCOC(=O)CC1=CC=C(C=C1)C2=CC=CC=C2.[I-]`
InChIKey	`WWPDLGXXOXAQKK-UHFFFAOYSA-M`

📖 Product Overview

diethyl-methyl-[2-[2-(4-phenylphenyl)acetyl]oxyethyl]azanium iodide (CAS: 64048-45-9) is a chemical compound with molecular formula C21H28INO2 and molecular weight 453.4 g/mol. Its IUPAC systematic name is diethyl-methyl-[2-[2-(4-phenylphenyl)acetyl]oxyethyl]azanium iodide. Topological Polar Surface Area 26.3 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 9 Exact Mass 453.1165 Heavy Atoms 25 Complexity 364.0 InChI Key: WWPDLGXXOXAQKK-UHFFFAOYSA-M. SMILES: CC[N+](C)(CC)CCOC(=O)CC1=CC=C(C=C1)C2=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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