1.0 2026-09-21 19:15:10 UTC 2026-09-21 19:15:10 UTC FDB116955 2,5-bis(aziridin-1-yl)-3-(hydroxymethyl)-6-methyl-1,4-benzoquinone 2,5-bis(aziridin-1-yl)-3-(hydroxymethyl)-6-methylcyclohexa-2,5-diene-1,4-dione C12H14N2O3 234.2512 234.100442324 2,5-bis(aziridin-1-yl)-3-(hydroxymethyl)-6-methylcyclohexa-2,5-diene-1,4-dione 2,5-bis(aziridin-1-yl)-3-(hydroxymethyl)-6-methylcyclohexa-2,5-diene-1,4-dione CC1=C(N2CC2)C(=O)C(CO)=C(N2CC2)C1=O InChI=1S/C12H14N2O3/c1-7-9(13-2-3-13)12(17)8(6-15)10(11(7)16)14-4-5-14/h15H,2-6H2,1H3 JKDLOGLNPDVUCX-UHFFFAOYSA-N belongs to the class of organic compounds known as p-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 4-positions, respectively. P-benzoquinones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic heteromonocyclic compounds Azacyclic compounds Enamines Hydrocarbon derivatives N-vinylaziridines Organic oxides Organopnictogen compounds Primary alcohols Trialkylamines Vinylogous amides Alcohol Aliphatic heteromonocyclic compound Amine Azacycle Aziridine Enamine Hydrocarbon derivative N-vinylaziridine Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound P-benzoquinone Primary alcohol Tertiary aliphatic amine Tertiary amine Vinylaziridine Vinylogous amide logp 0.22 ALOGPS logs -0.72 ALOGPS solubility 4.42e+01 g/l ALOGPS logp -0.49 ChemAxon pka_strongest_acidic 14.87 ChemAxon pka_strongest_basic -0.56 ChemAxon iupac 2,5-bis(aziridin-1-yl)-3-(hydroxymethyl)-6-methylcyclohexa-2,5-diene-1,4-dione ChemAxon average_mass 234.2512 ChemAxon mono_mass 234.100442324 ChemAxon smiles CC1=C(N2CC2)C(=O)C(CO)=C(N2CC2)C1=O ChemAxon formula C12H14N2O3 ChemAxon inchi InChI=1S/C12H14N2O3/c1-7-9(13-2-3-13)12(17)8(6-15)10(11(7)16)14-4-5-14/h15H,2-6H2,1H3 ChemAxon inchikey JKDLOGLNPDVUCX-UHFFFAOYSA-N ChemAxon polar_surface_area 60.39 ChemAxon refractivity 64.97 ChemAxon polarizability 23.64 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 6614 Specdb::MsMs 248715 Specdb::MsMs 248716 Specdb::MsMs 248717 Specdb::MsMs 268656 Specdb::MsMs 268657 Specdb::MsMs 268658