Synonyms
Cetyltrimethylammonium chloride
IUPAC Name
hexadecyl(trimethyl)azanium;chloride
Molecular Weight
320.00
Molecular Formula
C19H42ClN
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
Covalently-Bonded Unit Count
2
Decomposition
When heated to decomposition it emits very toxic fumes of /hydrogen chloride and nitrogen oxides/.;
Defined Atom Stereocenter Count
0
EC Number
203-928-6
Exact Mass
319.3005780
Formal Charge
0
H-Bond Acceptor
1
Heavy Atom Count
21
Isomeric SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
MDL Number
MFCD00011773
Monoisotopic Mass
319.3005780
Other Experimental
CLEAR TO PALE YELLOW LIQUID; RUBBING ALCOHOL ODOR /CETYLTRIMETHYLAMMONIUM CHLORIDE SOLN/;
Physical State
Powder
Rotatable Bond Count
15
Topological Polar Surface Area
0 Ų
UNII
UC9PE95IBP
UN Number
3082
