Benzoquinonium

benzyl-[3-[[4-[3-[benzyl(diethyl)azaniumyl]propylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propyl]-diethylazanium

CAS: 7554-16-7

Molecular Formula	`C34H50N4O2+2`
Molecular Weight	546.8 g/mol
LogP	5.7
Topological Polar Surface Area	58.2 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	18
Exact Mass	546.3934
Heavy Atoms	40
Complexity	774.0

Chemical Identifiers

CAS Number	7554-16-7
SMILES	`CC[N+](CC)(CCCNC1=CC(=O)C(=CC1=O)NCCC[N+](CC)(CC)CC2=CC=CC=C2)CC3=CC=CC=C3`
InChIKey	`YERABYSOHUZTPQ-UHFFFAOYSA-P`

📖 Product Overview

Benzoquinonium (CAS: 7554-16-7) is a chemical compound with molecular formula C34H50N4O2+2 and molecular weight 546.8 g/mol. Its IUPAC systematic name is benzyl-[3-[[4-[3-[benzyl(diethyl)azaniumyl]propylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propyl]-diethylazanium. LogP 5.7 Topological Polar Surface Area 58.2 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 18 Exact Mass 546.3934 Heavy Atoms 40 Complexity 774.0 InChI Key: YERABYSOHUZTPQ-UHFFFAOYSA-P. SMILES: CC[N+](CC)(CCCNC1=CC(=O)C(=CC1=O)NCCC[N+](CC)(CC)CC2=CC=CC=C2)CC3=CC=CC=C3.

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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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