dequalinium chloride

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

CAS: 522-51-0

Molecular Formula	`C30H40Cl2N4`
Molecular Weight	527.6 g/mol
Topological Polar Surface Area	59.8 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	11
Exact Mass	526.263
Heavy Atoms	36
Complexity	532.0

Chemical Identifiers

CAS Number	522-51-0
SMILES	`CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C.[Cl-].[Cl-]`
InChIKey	`LTNZEXKYNRNOGT-UHFFFAOYSA-N`

📖 Product Overview

dequalinium chloride (CAS: 522-51-0) is a chemical compound with molecular formula C30H40Cl2N4 and molecular weight 527.6 g/mol. Its IUPAC systematic name is 1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine dichloride. Topological Polar Surface Area 59.8 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 11 Exact Mass 526.263 Heavy Atoms 36 Complexity 532.0 InChI Key: LTNZEXKYNRNOGT-UHFFFAOYSA-N. SMILES: CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C.[Cl-].[Cl-].

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