1.0 2016-06-03 13:18:06 UTC 2026-08-21 23:52:44 UTC 1-amino-4-(3-amino-2,4,6-trimethyl-5-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid SmallMolecule 1-amino-4-(3-amino-2,4,6-trimethyl-5-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid belongs to the anthraquinones, a subclass of anthracenes within the organic compounds. With an average molecular weight of 531.55 g/mol, 1-amino-4-(3-amino-2,4,6-trimethyl-5-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid is a heavy molecule. It has the chemical formula C23H21N3O8S2. This compound is found in or released from one recorded source: drinking water and water supply (drinking water). The recorded exposure route for this substance is oral. C23H21N3O8S2 531.55 531.077006996 1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid 1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dioxoanthracene-2-sulfonic acid 24124-40-1 CC1=C(N)C(C)=C(C(C)=C1NC1=CC(=C(N)C2=C1C(=O)C1=CC=CC=C1C2=O)S(O)(=O)=O)S(O)(=O)=O InChI=1S/C23H21N3O8S2/c1-9-18(24)10(2)23(36(32,33)34)11(3)20(9)26-14-8-15(35(29,30)31)19(25)17-16(14)21(27)12-6-4-5-7-13(12)22(17)28/h4-8,26H,24-25H2,1-3H3,(H,29,30,31)(H,32,33,34) LQWXDEOZWGMSAR-UHFFFAOYSA-N Organic compounds Benzenoids Anthracenes Anthraquinones Anthraquinones 1-sulfo,2-unsubstituted aromatic compounds Aryl ketones Benzenesulfonyl compounds Hydrocarbon derivatives M-phenylenediamines Organic oxides Organopnictogen compounds Organosulfonic acids Primary amines Secondary amines Sulfonyls Vinylogous amides p-Methylbenzenesulfonates 1-sulfo,2-unsubstituted aromatic compound 9,10-anthraquinone Amine Aniline or substituted anilines Anthraquinone Aromatic homopolycyclic compound Aryl ketone Arylsulfonic acid or derivatives Benzenesulfonate Benzenesulfonyl group Hydrocarbon derivative Ketone M-phenylenediamine Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound P-methylbenzenesulfonate Phenylenediamine Primary amine Secondary amine Sulfonyl Vinylogous amide Aromatic homopolycyclic compounds Detected and Not Quantified logp 2.2 logp 0.30 ALOGPS logs -4.21 ALOGPS solubility 3.29e-02 g/l ALOGPS logp 2.4 ChemAxon pka_strongest_acidic -3.9 ChemAxon pka_strongest_basic 3.64 ChemAxon iupac 1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid ChemAxon average_mass 531.55 ChemAxon mono_mass 531.077006996 ChemAxon smiles CC1=C(N)C(C)=C(C(C)=C1NC1=CC(=C(N)C2=C1C(=O)C1=CC=CC=C1C2=O)S(O)(=O)=O)S(O)(=O)=O ChemAxon formula C23H21N3O8S2 ChemAxon inchi InChI=1S/C23H21N3O8S2/c1-9-18(24)10(2)23(36(32,33)34)11(3)20(9)26-14-8-15(35(29,30)31)19(25)17-16(14)21(27)12-6-4-5-7-13(12)22(17)28/h4-8,26H,24-25H2,1-3H3,(H,29,30,31)(H,32,33,34) ChemAxon inchikey LQWXDEOZWGMSAR-UHFFFAOYSA-N ChemAxon polar_surface_area 206.95 ChemAxon refractivity 135.41 ChemAxon polarizability 51.75 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 11 ChemAxon donor_count 5 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72aba062c8> 90368 81587