Benzyldimethylhexadecylammonium chloride

Catalog	DGS122189
CAS	122-18-9
Structure
Synonyms	Cetyl zephiran
IUPAC Name	Benzyl-hexadecyl-dimethylazanium;chloride
Molecular Weight	396.09
Molecular Formula	C25H46ClN
Canonical SMILES	CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
InChI	InChI=1S/C25H46N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;/h17-19,21-22H,4-16,20,23-24H2,1-3H3;1H/q+1;/p-1
InChI Key	SXPWTBGAZSPLHA-UHFFFAOYSA-M
Melting Point	55-65 °C
Purity	99%
Appearance	White powder
Storage	Room Temperature
Complexity	291
EC Number	204-526-3
Exact Mass	395.3318782
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
MDL Number	MFCD00011625
Monoisotopic Mass	395.3318782
Rotatable Bond Count	17
Storage Conditions	Room temperature
Topological Polar Surface Area	0 Ų