1.0 2016-06-03 11:00:45 UTC 2026-08-25 12:54:35 UTC acecarbromal SmallMolecule Acecarbromal is an organic compound with the chemical formula C9H15BrN2O3 and an average molecular weight of 279.13 g/mol. According to its chemical classification, acecarbromal belongs to the ureas, a subclass of organic carbonic acids and derivatives within the organic compounds. The compound has been identified in or released from 26 recorded sources. Within the category of electrical and electronic equipment, it is found in antennas, amplifiers, adjustable resistors, colour television systems, and conductors or conductive bodies characterised by the conductive materials, among 17 other sources. It is also recorded in drinking water and water supply, specifically within drinking water. Additional sources include soap detergents from household cleaning and consumer products, food preservation from food, food processing and cookware, and tents or canopies from building and construction. The recorded exposure route for this substance is oral. C9H15BrN2O3 279.134 278.026605 3-(2-bromo-2-ethyl-1-hydroxybutylidene)-1-(1-hydroxyethylidene)urea 3-(2-bromo-2-ethyl-1-hydroxybutylidene)-1-(1-hydroxyethylidene)urea 77-66-7 CCC(Br)(CC)C(O)=NC(=O)N=C(C)O InChI=1S/C9H15BrN2O3/c1-4-9(10,5-2)7(14)12-8(15)11-6(3)13/h4-5H2,1-3H3,(H2,11,12,13,14,15) SAZUGELZHZOXHB-UHFFFAOYSA-N Organic compounds Organic acids and derivatives Organic carbonic acids and derivatives Ureas N,N'-diacyl ureas Acetamides Alkyl bromides Carbonyl compounds Dicarboximides Hydrocarbon derivatives N-acyl amines N-acyl ureas Organic oxides Organobromides Organonitrogen compounds Organopnictogen compounds Acetamide Aliphatic acyclic compound Alkyl bromide Alkyl halide Carbonyl group Carboxylic acid derivative Dicarboximide Hydrocarbon derivative N,n'-diacyl urea N-acyl urea N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organobromide Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Aliphatic acyclic compounds Detected and Not Quantified logp 2.3 logp 2.33 ALOGPS logs -3.18 ALOGPS solubility 1.85e-01 g/l ALOGPS logp 2.12 ChemAxon pka_strongest_acidic 6.45 ChemAxon pka_strongest_basic -5.6 ChemAxon iupac 3-(2-bromo-2-ethyl-1-hydroxybutylidene)-1-(1-hydroxyethylidene)urea ChemAxon average_mass 279.134 ChemAxon mono_mass 278.026605 ChemAxon smiles CCC(Br)(CC)C(O)=NC(=O)N=C(C)O ChemAxon formula C9H15BrN2O3 ChemAxon inchi InChI=1S/C9H15BrN2O3/c1-4-9(10,5-2)7(14)12-8(15)11-6(3)13/h4-5H2,1-3H3,(H2,11,12,13,14,15) ChemAxon inchikey SAZUGELZHZOXHB-UHFFFAOYSA-N ChemAxon polar_surface_area 82.25 ChemAxon refractivity 58.91 ChemAxon polarizability 24.08 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7283dc01e8> DB20611 6489 6244