dequalinium

1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine

CAS: 6707-58-0

Molecular Formula	`C30H40N4+2`
Molecular Weight	456.7 g/mol
LogP	7.3
Topological Polar Surface Area	59.8 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	2
Rotatable Bonds	11
Exact Mass	456.3253
Heavy Atoms	34
Complexity	532.0

Chemical Identifiers

CAS Number	6707-58-0
SMILES	`CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C`
InChIKey	`PCSWXVJAIHCTMO-UHFFFAOYSA-P`

📖 Product Overview

dequalinium (CAS: 6707-58-0) is a chemical compound with molecular formula C30H40N4+2 and molecular weight 456.7 g/mol. Its IUPAC systematic name is 1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine. LogP 7.3 Topological Polar Surface Area 59.8 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 2 Rotatable Bonds 11 Exact Mass 456.3253 Heavy Atoms 34 Complexity 532.0 InChI Key: PCSWXVJAIHCTMO-UHFFFAOYSA-P. SMILES: CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C.

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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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