1.0 2010-04-08 22:06:08 UTC 2025-11-18 22:55:32 UTC FDB004214 Diaminopropane Diaminopropane, also known as 2,4-diaminophenol hydrochloride or amidol, is a member of the class of compounds known as aniline and substituted anilines. Aniline and substituted anilines are organic compounds containing an aminobenzene moiety. Diaminopropane is soluble (in water) and a very weakly acidic compound (based on its pKa). Diaminopropane can be found in barley, common wheat, corn, and oat, which makes diaminopropane a potential biomarker for the consumption of these food products. Diaminopropane may refer to either of two isomeric chemical compounds: 1,2-Diaminopropane 1,3-Diaminopropane . C6H8N2O 124.143 124.063662886 2,4-diaminophenol amidol NC1=CC(N)=C(O)C=C1 InChI=1S/C6H8N2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,7-8H2 XIWMTQIUUWJNRP-UHFFFAOYSA-N belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety. Aniline and substituted anilines Organic compounds Benzenoids Benzene and substituted derivatives Aniline and substituted anilines Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Primary amines o-Aminophenols p-Aminophenols 1-hydroxy-2-unsubstituted benzenoid Amine Aminophenol Aniline or substituted anilines Aromatic homomonocyclic compound Hydrocarbon derivative O-aminophenol Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound P-aminophenol Phenol Primary amine logp -0.21 ALOGPS logs -0.31 ALOGPS solubility 6.05e+01 g/l ALOGPS logp 0.012 ChemAxon pka_strongest_acidic 11.2 ChemAxon pka_strongest_basic 6 ChemAxon iupac 2,4-diaminophenol ChemAxon average_mass 124.143 ChemAxon mono_mass 124.063662886 ChemAxon smiles NC1=CC(N)=C(O)C=C1 ChemAxon formula C6H8N2O ChemAxon inchi InChI=1S/C6H8N2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,7-8H2 ChemAxon inchikey XIWMTQIUUWJNRP-UHFFFAOYSA-N ChemAxon polar_surface_area 72.27 ChemAxon refractivity 37.44 ChemAxon polarizability 12.6 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 65949 Specdb::MsMs 65950 Specdb::MsMs 65951 Specdb::MsMs 123402 Specdb::MsMs 123403 Specdb::MsMs 123404 Specdb::MsMs 3600152 Specdb::MsMs 3600153 Specdb::MsMs 3600154 Specdb::MsMs 3600155 Specdb::MsMs 3600156 Specdb::MsMs 3600157 Barley Type 1 specific Hordeum vulgare 4513 Common wheat Type 1 specific Triticum aestivum 4565 Corn Type 1 specific Zea mays 4577 Oat Type 1 specific Avena sativa 4498