1.0 2016-05-19 03:52:12 UTC 2026-08-22 08:00:09 UTC [1,1'-Bianthracene]-9,9',10,10'-tetrone, 4,4'-diamino- SmallMolecule [1,1'-Bianthracene]-9,9',10,10'-tetrone, 4,4'-diamino- belongs to the anthraquinones, a subclass of anthracenes within the organic compounds. This benzenoid compound has the chemical formula $\text{C}_{28}\text{H}_{16}\text{N}_2\text{O}_4$ and an average molecular weight of 444.45 g/mol. Industrially, the substance is utilized as a pigment. It has been identified in two recorded sources: electrical and electronic equipment, specifically still video cameras, and drinking water and water supply. The recorded route of exposure for this compound is oral. 4,4'-diamino[1,1'-bianthracene]-9,9',10,10'-tetraone C28H16N2O4 444.446 444.111007003 4,4'-diamino-9H,9'H,10H,10'H-[1,1'-bianthracene]-9,9',10,10'-tetrone 4,4'-diamino-[1,1'-bianthracene]-9,9',10,10'-tetrone 4051-63-2 NC1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(C=C1)C1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(N)C=C1 InChI=1S/C28H16N2O4/c29-19-11-9-13(21-23(19)27(33)17-7-3-1-5-15(17)25(21)31)14-10-12-20(30)24-22(14)26(32)16-6-2-4-8-18(16)28(24)34/h1-12H,29-30H2 KNMQFBWXSICVQC-UHFFFAOYSA-N Organic compounds Benzenoids Anthracenes Anthraquinones Anthraquinones Aryl ketones Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary amines Vinylogous amides 9,10-anthraquinone Amine Anthraquinone Aromatic homopolycyclic compound Aryl ketone Hydrocarbon derivative Ketone Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary amine Vinylogous amide Aromatic homopolycyclic compounds Detected and Not Quantified logp 5.2 logp 5.10 ALOGPS logs -5.70 ALOGPS solubility 8.94e-04 g/l ALOGPS logp 5.15 ChemAxon pka_strongest_acidic 19.47 ChemAxon pka_strongest_basic 1.76 ChemAxon iupac 4,4'-diamino-9H,9'H,10H,10'H-[1,1'-bianthracene]-9,9',10,10'-tetrone ChemAxon average_mass 444.446 ChemAxon mono_mass 444.111007003 ChemAxon smiles NC1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(C=C1)C1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(N)C=C1 ChemAxon formula C28H16N2O4 ChemAxon inchi InChI=1S/C28H16N2O4/c29-19-11-9-13(21-23(19)27(33)17-7-3-1-5-15(17)25(21)31)14-10-12-20(30)24-22(14)26(32)16-6-2-4-8-18(16)28(24)34/h1-12H,29-30H2 ChemAxon inchikey KNMQFBWXSICVQC-UHFFFAOYSA-N ChemAxon polar_surface_area 120.32 ChemAxon refractivity 130.78 ChemAxon polarizability 46.3 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7224313fd8> 77669 70070