1.0 2016-06-03 11:01:11 UTC 2026-08-26 17:49:37 UTC allobarbital SmallMolecule Allobarbital is an organic compound with the formula C10H12N2O3 and an average molecular weight of 208.22 g/mol. allobarbital belongs to the pyrimidines and pyrimidine derivatives, a subclass of diazines within the organic compounds. This substance has been identified in or released from 41 recorded sources across several categories. Within electrical and electronic equipment, it is associated with amplifiers, antennas, auxiliary devices, colour television systems, adjustable resistors, and 15 additional sources. In building and construction, it is found in relation to ceilings, floors, roofs, fencing, and ladders, among 4 other sources. It appears in household cleaning and consumer products, specifically in soap detergents, perfumes within detergents and soaps, pipe accessories, cigar cigarettes, and tobacco smoke filters. In the context of food, food processing and cookware, allobarbital is linked to food preservation, processing meats, the preparation of wort, and fermentation processes for beer. Additionally, it has been recorded in household items such as watch chains and badges, as well as in drinking water and water supply. The recorded exposure route for this compound is oral. C10H12N2O3 208.217 208.084792254 4,6-dihydroxy-5,5-bis(prop-2-en-1-yl)-2,5-dihydropyrimidin-2-one curral 52-43-7 OC1=NC(=O)N=C(O)C1(CC=C)CC=C InChI=1S/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15) FDQGNLOWMMVRQL-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Barbituric acid derivatives Azacyclic compounds Carbonyl compounds Diazinanes Dicarboximides Hydrocarbon derivatives N-acyl ureas Organic oxides Organonitrogen compounds Organopnictogen compounds 1,3-diazinane Aliphatic heteromonocyclic compound Azacycle Barbiturate Carbonic acid derivative Carbonyl group Carboxylic acid derivative Dicarboximide Hydrocarbon derivative N-acyl urea Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Urea Ureide Aliphatic heteromonocyclic compounds Detected and Not Quantified logp 1 logp 0.74 ALOGPS logs -2.63 ALOGPS solubility 4.93e-01 g/l ALOGPS logp 1.73 ChemAxon pka_strongest_acidic 1.36 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 4,6-dihydroxy-5,5-bis(prop-2-en-1-yl)-2,5-dihydropyrimidin-2-one ChemAxon average_mass 208.217 ChemAxon mono_mass 208.084792254 ChemAxon smiles OC1=NC(=O)N=C(O)C1(CC=C)CC=C ChemAxon formula C10H12N2O3 ChemAxon inchi InChI=1S/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15) ChemAxon inchikey FDQGNLOWMMVRQL-UHFFFAOYSA-N ChemAxon polar_surface_area 82.25 ChemAxon refractivity 54.19 ChemAxon polarizability 19.74 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7227e99bc0> DB13577 5842 5635