Domiphen bromide

Catalog	DGS538716
CAS	538-71-6
Structure
Synonyms	(Dodecyldimethyl-2-phenoxyethyl)ammonium bromide
IUPAC Name	dodecyl-dimethyl-(2-phenoxyethyl)azanium;bromide
Molecular Weight	414.46
Molecular Formula	C22H40BrNO
InChI	InChI=1S/C22H40NO.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-23(2,3)20-21-24-22-17-14-13-15-18-22;/h13-15,17-18H,4-12,16,19-21H2,1-3H3;1H/q+1;/p-1
InChI Key	OJIYIVCMRYCWSE-UHFFFAOYSA-M
Melting Point	108°C~118°C
Appearance	Light yellow or white flake crystal
Storage	Ambient
Complexity	271
EC Number	208-702-0
Exact Mass	413.22933
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCCCCCCC[N+](C)(C)CCOC1=CC=CC=C1.[Br-]
Monoisotopic Mass	413.22933
Rotatable Bond Count	15
Storage Conditions	-20 ºC
Topological Polar Surface Area	9.2 Ų