Cetrimonium chlorideProduct ingredient for Cetrimonium

Show full entry for Cetrimonium
Name
Cetrimonium chloride
Drug Entry
Cetrimonium

Cetrimonium is a quaternary ammonium cation whose salts are used as antiseptics.

See full entry for Cetrimonium
Accession Number
DBSALT001770
Structure
Similar Structures
Synonyms
Alkyltriethylammonium chloride / Cetyl trimethyl ammonium chloride / Cetyltrimethylammonium chloride / CTAC / Hexadecyltrimethylammonium chloride / N-hexadecyltrimethylammonium chloride / N,N,N-trimethyl-1-hexadecanaminium chloride / Palmityltrimethylammonium chloride / Trimethylhexadecylammonium chloride
UNII
UC9PE95IBP
CAS Number
112-02-7
Weight
Average: 320.0
Monoisotopic: 319.3005781
Chemical Formula
C19H42ClN
InChI Key
WOWHHFRSBJGXCM-UHFFFAOYSA-M
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
IUPAC Name
hexadecyltrimethylazanium chloride
SMILES
[Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)C
ChemSpider
7862
ChEBI
53581
ChEMBL
CHEMBL1895807
Wikipedia
Cetrimonium_chloride
Predicted Properties
PropertyValueSource
Water Solubility6.3e-06 mg/mLALOGPS
logP1.84ALOGPS
logP2.69Chemaxon
logS-7.7ALOGPS
Physiological Charge1Chemaxon
Hydrogen Acceptor Count0Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area0 Å2Chemaxon
Rotatable Bond Count15Chemaxon
Refractivity104.99 m3·mol-1Chemaxon
Polarizability41.09 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon