Benzyldodecyldimethylammonium bromide

Catalog	DGS7281041
CAS	7281-04-1
Structure
Synonyms	Benzyldimethyldodecylammonium bromide
IUPAC Name	benzyl-dodecyl-dimethylazanium;bromide
Molecular Weight	384.44
Molecular Formula	C21H38BrN
Canonical SMILES	CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-];
InChI	InChI=1S/C21H38N.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1
InChI Key	KHSLHYAUZSPBIU-UHFFFAOYSA-M
Melting Point	50-55 °C
Flash Point	110 °C
Purity	≥96.5%
Appearance	Powder
Application	Benzalkonium bromides are an important class of cationic surfactants. They are used as preservatives for ophthalmic, nasal and parenteral products and they are also used as a topical antiseptic and medical equipment disinfectant.
Storage	2-8°C
Complexity	240
EC Number	230-698-4
Exact Mass	383.21876
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]
MDL Number	MFCD00011768
Monoisotopic Mass	383.21876
Rotatable Bond Count	13
Storage Conditions	2-8°C
Topological Polar Surface Area	0 Ų