1.0 2016-06-03 13:17:01 UTC 2026-03-26 20:45:49 UTC (2-hydroxy-3-sulphopropyl)dimethyl[3-[(1-oxododecyl)amino]propyl]ammonium hydroxide SmallMolecule (2-hydroxy-3-sulphopropyl)dimethyl[3-[(1-oxododecyl)amino]propyl]ammonium hydroxide belongs to the fatty amides, a subclass of fatty acyls within the organic compounds. This compound has the chemical formula C20H42N2O5S and an average molecular weight of 422.63 g/mol. The substance is identified in six recorded sources. These include household items such as watch chains and soap dispensers, as well as building and construction materials specifically found in ceilings. It is also associated with indoor air, drinking water and water supply, and the preparation of wine or sparkling wine. Recorded exposure routes for this compound include oral and inhalation. C20H42N2O5S 422.63 422.281443634 2-hydroxy-3-({3-[(1-hydroxydodecylidene)amino]propyl}dimethylazaniumyl)propane-1-sulfonate 2-hydroxy-3-({3-[(1-hydroxydodecylidene)amino]propyl}dimethylammonio)propane-1-sulfonate 19223-55-3 CCCCCCCCCCCC(O)=NCCC[N+](C)(C)CC(O)CS([O-])(=O)=O InChI=1S/C20H42N2O5S/c1-4-5-6-7-8-9-10-11-12-14-20(24)21-15-13-16-22(2,3)17-19(23)18-28(25,26)27/h19,23H,4-18H2,1-3H3,(H-,21,24,25,26,27) IXOCGRPBILEGOX-UHFFFAOYSA-N Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty amides N-acyl amines 1,2-aminoalcohols Alkanesulfonic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organopnictogen compounds Organosulfonic acids Secondary alcohols Secondary carboxylic acid amides Sulfonyls Tetraalkylammonium salts 1,2-aminoalcohol Alcohol Aliphatic acyclic compound Alkanesulfonic acid Amine Carbonyl group Carboxamide group Carboxylic acid derivative Hydrocarbon derivative N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic sulfonic acid or derivatives Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Quaternary ammonium salt Secondary alcohol Secondary carboxylic acid amide Sulfonyl Tetraalkylammonium salt Aliphatic acyclic compounds Detected and Not Quantified logp 1.11 ALOGPS logs -5.55 ALOGPS solubility 1.35e-03 g/l ALOGPS logp -1.5 ChemAxon pka_strongest_acidic -1.1 ChemAxon pka_strongest_basic 6.28 ChemAxon iupac 2-hydroxy-3-({3-[(1-hydroxydodecylidene)amino]propyl}dimethylazaniumyl)propane-1-sulfonate ChemAxon average_mass 422.63 ChemAxon mono_mass 422.281443634 ChemAxon smiles CCCCCCCCCCCC(O)=NCCC[N+](C)(C)CC(O)CS([O-])(=O)=O ChemAxon formula C20H42N2O5S ChemAxon inchi InChI=1S/C20H42N2O5S/c1-4-5-6-7-8-9-10-11-12-14-20(24)21-15-13-16-22(2,3)17-19(23)18-28(25,26)27/h19,23H,4-18H2,1-3H3,(H-,21,24,25,26,27) ChemAxon inchikey IXOCGRPBILEGOX-UHFFFAOYSA-N ChemAxon polar_surface_area 110.02 ChemAxon refractivity 124.25 ChemAxon polarizability 49.34 ChemAxon rotatable_bond_count 18 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f726e492bd0> 83841 75659