1.0 2016-06-03 13:20:44 UTC 2026-08-22 11:53:15 UTC 1,4-bis[(2,6-diethyl-4-methylphenyl)amino]anthraquinone SmallMolecule 1,4-bis[(2,6-diethyl-4-methylphenyl)amino]anthraquinone belongs to the anthraquinones, a subclass of anthracenes within the organic compounds. With an average molecular weight of 530.71 g/mol, 1,4-bis[(2,6-diethyl-4-methylphenyl)amino]anthraquinone is a heavy molecule. It has the chemical formula C36H38N2O2 and is utilized as an industrial dye. This compound has been identified in three recorded sources, including drinking water and water supply systems, as well as electrical and electronic equipment such as antennas and electric hearing aids. The recorded exposure route for this substance is oral. C36H38N2O2 530.712 530.293328472 1,4-bis[(2,6-diethyl-4-methylphenyl)amino]-9,10-dihydroanthracene-9,10-dione 1,4-bis[(2,6-diethyl-4-methylphenyl)amino]anthracene-9,10-dione 32724-62-2 CCC1=CC(C)=CC(CC)=C1NC1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(NC2=C(CC)C=C(C)C=C2CC)C=C1 InChI=1S/C36H38N2O2/c1-7-23-17-21(5)18-24(8-2)33(23)37-29-15-16-30(38-34-25(9-3)19-22(6)20-26(34)10-4)32-31(29)35(39)27-13-11-12-14-28(27)36(32)40/h11-20,37-38H,7-10H2,1-6H3 IBABXJRXGSAJLQ-UHFFFAOYSA-N Organic compounds Benzenoids Anthracenes Anthraquinones Anthraquinones Aminotoluenes Aniline and substituted anilines Aryl ketones Hydrocarbon derivatives Organic oxides Organopnictogen compounds Secondary amines Vinylogous amides 9,10-anthraquinone Amine Aminotoluene Aniline or substituted anilines Anthraquinone Aromatic homopolycyclic compound Aryl ketone Hydrocarbon derivative Ketone Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary amine Toluene Vinylogous amide Aromatic homopolycyclic compounds Detected and Not Quantified logp 11 logp 7.17 ALOGPS logs -6.92 ALOGPS solubility 6.35e-05 g/l ALOGPS logp 13.26 ChemAxon pka_strongest_acidic 18.85 ChemAxon pka_strongest_basic 0.3 ChemAxon iupac 1,4-bis[(2,6-diethyl-4-methylphenyl)amino]-9,10-dihydroanthracene-9,10-dione ChemAxon average_mass 530.712 ChemAxon mono_mass 530.293328472 ChemAxon smiles CCC1=CC(C)=CC(CC)=C1NC1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(NC2=C(CC)C=C(C)C=C2CC)C=C1 ChemAxon formula C36H38N2O2 ChemAxon inchi InChI=1S/C36H38N2O2/c1-7-23-17-21(5)18-24(8-2)33(23)37-29-15-16-30(38-34-25(9-3)19-22(6)20-26(34)10-4)32-31(29)35(39)27-13-11-12-14-28(27)36(32)40/h11-20,37-38H,7-10H2,1-6H3 ChemAxon inchikey IBABXJRXGSAJLQ-UHFFFAOYSA-N ChemAxon polar_surface_area 58.2 ChemAxon refractivity 166.77 ChemAxon polarizability 62.66 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bf118f8d8> 122937 109582