Benzyldimethylstearylammonium chloride

Catalog	DGS122190
CAS	122-19-0
Structure
Synonyms	Alkyldimethylbenzylammoniumchloride
IUPAC Name	benzyl-dimethyl-octadecylazanium;chloride
Molecular Weight	424.15 (anhydrous)
Molecular Formula	C27H50ClN
InChI	InChI=1S/C27H50N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;/h19-21,23-24H,4-18,22,25-26H2,1-3H3;1H/q+1;/p-1
InChI Key	SFVFIFLLYFPGHH-UHFFFAOYSA-M
Melting Point	54-56 °C
Purity	80%
Density	0.98 g/cm³
Solubility	Soluble in water
Appearance	White solid
Complexity	316
EC Number	204-527-9
Exact Mass	423.3631783
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
MDL Number	MFCD00011776
Monoisotopic Mass	423.3631783
Rotatable Bond Count	9
Storage Conditions	Room temperature
Topological Polar Surface Area	0 Ų