Cetrimonium hydroxideProduct ingredient for Cetrimonium

Name
Cetrimonium hydroxide
Drug Entry
Cetrimonium

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

Accession Number
DBSALT001771
Structure
Synonyms
Not Available
UNII
8Q7D6895LV
CAS Number
505-86-2
Weight
Average: 301.559
Monoisotopic: 301.334465009
Chemical Formula
C19H43NO
InChI Key
WJLUBOLDZCQZEV-UHFFFAOYSA-M
InChI
InChI=1S/C19H42N.H2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H2/q+1;/p-1
IUPAC Name
hexadecyltrimethylazanium hydroxide
SMILES
[OH-].CCCCCCCCCCCCCCCC[N+](C)(C)C
ChemSpider
61474
Predicted Properties
PropertyValueSource
Water Solubility2.93e-05 mg/mLALOGPS
logP2.74ALOGPS
logP2.69Chemaxon
logS-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