Dioctyldimonium chlorideProduct ingredient for Dioctyldimonium

Name
Dioctyldimonium chloride
Drug Entry
Dioctyldimonium
Accession Number
DBSALT002623
Structure
Synonyms
Dimethyl dioctyl ammonium chloride / Dimethyldioctylammonium chloride / Dioctyl dimethyl ammonium chloride / Dioctyldimethylammonium chloride
External IDs
HOE-S 2617 / RC 5626
UNII
0X0RL40Y6H
CAS Number
5538-94-3
Weight
Average: 305.98
Monoisotopic: 305.284928
Chemical Formula
C18H40ClN
InChI Key
FARBQUXLIQOIDY-UHFFFAOYSA-M
InChI
InChI=1S/C18H40N.ClH/c1-5-7-9-11-13-15-17-19(3,4)18-16-14-12-10-8-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1
IUPAC Name
dimethyldioctylazanium chloride
SMILES
[Cl-].CCCCCCCC[N+](C)(C)CCCCCCCC
ChemSpider
56343
ChEMBL
CHEMBL2357351
Predicted Properties
PropertyValueSource
Water Solubility7.48e-06 mg/mLALOGPS
logP1.83ALOGPS
logP2.23Chemaxon
logS-7.6ALOGPS
Physiological Charge1Chemaxon
Hydrogen Acceptor Count0Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area0 Å2Chemaxon
Rotatable Bond Count14Chemaxon
Refractivity100.46 m3·mol-1Chemaxon
Polarizability38.58 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon