Cetrimonium

enlarge

Systematic / IUPAC Name: N,N,N-Trimethyl-1-hexadecanaminium

ID: Reference2592

Other Names: Cetrimonum;
N,N,N-Trimethylhexadecan-1-aminium;
1-Hexadecanaminium, N,N,N-trimethyl-;
Ammonium, hexadecyltrimethyl-;
Cetyltrimethylammonium ; more

Formula: C19H42N+

Class: Personal Care Products/Cosmetics Textile Chemicals/Auxiliary/Dyes Therapeutics/Prescription Drugs

Spectral Data

Cetrimonium mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 118
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/15/2015 12:38:57 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C19H42N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3/q+1
InChI Key RLGQACBPNDBWTB-UHFFFAOYSA-N
Canonical SMILES CCCCCCCCCCCCCCCC[N+](C)(C)C
CAS
Splash
Other Names Cetrimonum;
N,N,N-Trimethylhexadecan-1-aminium;
1-Hexadecanaminium, N,N,N-trimethyl-;
Ammonium, hexadecyltrimethyl-;
Cetyltrimethylammonium;
Hexadecyltrimethylammonium ;
Trimethylhexadecylammonium

In Other Databases

ChemSpider 2580
Wikipedia Cetrimonium; Cetrimonium bromide; Cetrimonium chloride
ChemIDPlus 006899101; 019710011; 000124232; 049706674; 002478297; 065060028; 000138329; 078480178; 038844007; 007192883
DrugBank DB01718
PubChem 2681
ChEBI CHEBI:39561
KEGG C11275