Dimethyldioctadecylammonium bromide

Catalog	DGS3700672
CAS	3700-67-2
Synonyms	Dioctadecyl dimethyl ammonium bromide
IUPAC Name	dimethyl(dioctadecyl)azanium;bromide
Molecular Weight	630.95
Molecular Formula	C38H80BrN
Canonical SMILES	CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Br-]
InChI	InChI=1S/C38H80N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-38H2,1-4H3;1H/q+1;/p-1
InChI Key	PSLWZOIUBRXAQW-UHFFFAOYSA-M
Melting Point	~160 °C
Purity	99%
Density	1.047 g/cm³
Appearance	Off-white solid
Storage	-20 °C
Complexity	391
EC Number	223-037-6
Exact Mass	629.54741
Formal Charge	0
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Br-]
MDL Number	MFCD00041975
Monoisotopic Mass	629.54741
Rotatable Bond Count	34
Topological Polar Surface Area	0 Ų