Hexadecyltrimethylammonium chloride

Catalog	DGS112027
CAS	112-02-7
Structure
Synonyms	Cetyltrimethylammonium chloride
IUPAC Name	hexadecyl(trimethyl)azanium;chloride
Molecular Weight	320.00
Molecular Formula	C19H42ClN
Canonical SMILES	CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
InChI	InChI=1S/C19H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
InChI Key	WOWHHFRSBJGXCM-UHFFFAOYSA-M
Melting Point	232-237 °C
Purity	≥98%
Density	0.968 g/mL at 25 °C
Solubility	Water solubility: 440 mg/l at 30 deg C;
Appearance	White powder
Complexity	181
EC Number	203-928-6
Exact Mass	319.3005780
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
MDL Number	MFCD00011773
Monoisotopic Mass	319.3005780
Rotatable Bond Count	15
Topological Polar Surface Area	0 Ų