Benzalkonium chloride

Catalog	DGS63449412
CAS	63449-41-2
Structure
Synonyms	Alkylbenzyldimethylammonium chloride
IUPAC Name	benzyl-decyl-dimethylazanium;chloride
Molecular Weight	283.88
Molecular Formula	C17H30ClN
InChI	InChI=1S/C19H34N.ClH/c1-4-5-6-7-8-9-10-14-17-20(2,3)18-19-15-12-11-13-16-19;/h11-13,15-16H,4-10,14,17-18H2,1-3H3;1H/q+1;/p-1
InChI Key	TTZLKXKJIMOHHG-UHFFFAOYSA-M
Boiling Point	100 °C
Melting Point	-5 °C
Purity	≥95%
Density	0.989 g/cm³
Appearance	Pale yellow semisolid
Complexity	216
EC Number	264-151-6
Exact Mass	311.2379778
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
MDL Number	MFCD00145757
Monoisotopic Mass	311.2379778
Rotatable Bond Count	11
Topological Polar Surface Area	0 Ų