Synonyms
Lissolamine A; N-Cetyltrimethylammonium bromide; HEXADECANAMINIUM, N,N,N-TRIMETHYL-, BROMIDE; Hexadecyltrimethylammonium bromide, >=96.0% (AT); ACMC-1AP33; cetyl-trimethyl-ammonium bromide; Zephirol Related Compound 5; WLN: 16K1&1&1 &Q &E; EPA Pesticide Chemical Code 069117; Cetrimonium bromide;
IUPAC Name
hexadecyl(trimethyl)azanium;bromide;
Molecular Weight
364.456g/mol
Molecular Formula
C19H42BrN;
Canonical SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-];
InChI
InChI=1S/C19H42N.BrH/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
LZZYPRNAOMGNLH-UHFFFAOYSA-M;
Melting Point
240.0°C;
Storage
Store at RT.
Complexity
181
Covalently-Bonded Unit Count
2
EC Number
200-311-3
Exact Mass
363.25g/mol
H-Bond Acceptor
1
Heavy Atom Count
21
Monoisotopic Mass
363.25g/mol
NSC Number
758401
Rotatable Bond Count
15
Topological Polar Surface Area
0A^2
UNII
L64N7M9BWR
