Distearyldimonium chlorideProduct ingredient for Distearyldimonium

Name
Distearyldimonium chloride
Drug Entry
Distearyldimonium
Accession Number
DBSALT002744
Structure
Synonyms
Dimethyl dioctadecyl ammonium chloride / Dimethyldioctadecylammonium chloride / Distearyl dimethyl ammonium chloride / N,N-Dimethyl-N-octadecyl-1-octadecanaminium chloride / Quaternium-5
External IDs
CA 3475
UNII
OM9573ZX3X
CAS Number
107-64-2
Weight
Average: 586.52
Monoisotopic: 585.5979293
Chemical Formula
C38H80ClN
InChI Key
REZZEXDLIUJMMS-UHFFFAOYSA-M
InChI
InChI=1S/C38H80N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-38H2,1-4H3;1H/q+1;/p-1
IUPAC Name
dimethyldioctadecylazanium chloride
SMILES
[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC
ChemSpider
7591
Wikipedia
Dimethyldioctadecylammonium_chloride
Predicted Properties
PropertyValueSource
Water Solubility3.07e-06 mg/mLALOGPS
logP6.98ALOGPS
logP11.12Chemaxon
logS-8.3ALOGPS
Physiological Charge1Chemaxon
Hydrogen Acceptor Count0Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area0 Å2Chemaxon
Rotatable Bond Count34Chemaxon
Refractivity192.48 m3·mol-1Chemaxon
Polarizability81.49 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon