Didecyldimethylammonium chlorideProduct ingredient for Didecyldimethylammonium

Name
Didecyldimethylammonium chloride
Drug Entry
Didecyldimethylammonium
Accession Number
DBSALT002532
Structure
Synonyms
DDAC / Didecyl dimethyl ammonium chloride / Didecyldimethylammonium chlorid / Didecyldimonium chloride / N-decyl-N,N-dimethyl-1-decanaminium chloride / Quaternium-12
UNII
JXN40O9Y9B
CAS Number
7173-51-5
Weight
Average: 362.08
Monoisotopic: 361.3475282
Chemical Formula
C22H48ClN
InChI Key
RUPBZQFQVRMKDG-UHFFFAOYSA-M
InChI
InChI=1S/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1
IUPAC Name
bis(decyl)dimethylazanium chloride
SMILES
[Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC
KEGG Compound
C15436
ChemSpider
22027
ChEBI
79935
ChEMBL
CHEMBL224987
Wikipedia
Didecyldimethylammonium_chloride
Predicted Properties
PropertyValueSource
Water Solubility4.48e-06 mg/mLALOGPS
logP3.33ALOGPS
logP4.01Chemaxon
logS-7.9ALOGPS
Physiological Charge1Chemaxon
Hydrogen Acceptor Count0Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area0 Å2Chemaxon
Rotatable Bond Count18Chemaxon
Refractivity118.86 m3·mol-1Chemaxon
Polarizability47.18 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon