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Cetrimonium bromide

View entire compound with spectra: 2 NMR, 4 FTIR, 1 Raman, and 2 MS (GC)

Cetrimonium bromide
SpectraBase Compound ID DBVuAi5oOCJ
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
InChIKey LZZYPRNAOMGNLH-UHFFFAOYSA-M
Mol Weight 364.5 g/mol
Molecular Formula C19H42BrN
Exact Mass 363.250063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JCRjcEvR5qA
Name Cetrimonium bromide
Alternate Name(s) 1-Hexadecanaminium, N,N,N-trimethyl-, bromide Ammonium, hexadecyltrimethyl-, bromide n-Hexadecyltrimethylammonium bromide Acetoquat CTAB Bromat N,N,N-trimethylhexadecan-1-aminium bromide Cetab Cetaflon Cetavlon Cetrimide Cetyltrimethylammonium bromide Cirrasol OD CTAB Hexadecyltrimethylammonium Bromide Lissolamine Micol N-Cetyltrimethylammonium bromide N-Hexadecyl-N,N,N-trimethylammonium bromide N,N,N-Trimethyl-1-hexadecanaminium bromide N,N,N-Trimethylcetylammonium bromide Pollacid Quamonium Trimethylcetylammonium bromide Trimethylhexadecylammonium bromide 1-Hexadecyltrimethylammonium bromide Cee dee Centimide Cetarol Cetavlon bromide Cetrimide bp Ctmab Cycloton V Softex KW Suticide C.T.A.B. Catinal HTB-70 Cetavlex Cetylamine Cradocap Hexadecanaminium, N,N,N-trimethyl-, bromide HTAB N,N,N-Trimethylammonium-1-hexadecanaminium bromide Rhodaquat M242B/99 Sumquat 6030 Varisoft CTB-40 Lissolamin V Lissolamine A Lissolamine V CTABr Hexadecyl(trimethyl)ammonium;bromide Hexadecyl(trimethyl)azanium;bromide
CAS Registry Number 57-09-0
Comments Structure changed after expert review
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Formula C19H42BrN
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
InChIKey LZZYPRNAOMGNLH-UHFFFAOYSA-M
Molecular Weight 364.456 g/mol
SMILES [Br-].C(CCCCCCCCCCCCC)CC[N+](C)(C)C
SPLASH splash10-0a4i-9000000000-3d58ab3846da2a24b3c0
Wiley ID 1479978