Ethylhexadecyldimethylammonium Bromide

Catalog	DGS124038
CAS	124-03-8
Structure
Synonyms	Cetyldimethylethylammonium bromide; Dimethylethylhexadecylammonium bromide
IUPAC Name	ethyl-hexadecyl-dimethylazanium;bromide
Molecular Weight	378.47
Molecular Formula	C20H44BrN
Canonical SMILES	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-];
InChI	InChI=1S/C20H44N.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;/h5-20H2,1-4H3;1H/q+1;/p-1
InChI Key	VUFOSBDICLTFMS-UHFFFAOYSA-M
Melting Point	190 °C
Flash Point	93°C
Purity	≥98%
Solubility	34.5 [ug/mL];
Appearance	Powder
Application	Disinfectant; laboratory reagent.
Storage	2-8°C
Complexity	198
EC Number	204-672-8
Exact Mass	377.26571
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]
MDL Number	MFCD00011774
Monoisotopic Mass	377.26571
Rotatable Bond Count	16
Stability	Stable. Combustible. Incompatible with strong oxidizing agents. Protect from moisture.
Storage Conditions	2-8°C
Topological Polar Surface Area	0 Ų