1.0 2016-06-03 10:39:34 UTC 2026-08-19 06:23:54 UTC (R*,R*)-(±)-5-amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthaldiamide SmallMolecule (R*,R*)-(±)-5-amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthaldiamide belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 705.03 g/mol, (R*,R*)-(±)-5-amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthaldiamide is a heavy molecule. Its chemical formula is C14H18I3N3O6. This compound has been found in or released from drinking water and water supply. The recorded exposure route for this substance is oral. C14H18I3N3O6 705.026 704.83297 5-amino-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboximidic acid 5-amino-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboximidic acid 66108-89-2 NC1=C(I)C(C(O)=NCC(O)CO)=C(I)C(C(O)=NCC(O)CO)=C1I InChI=1S/C14H18I3N3O6/c15-9-7(13(25)19-1-5(23)3-21)10(16)12(18)11(17)8(9)14(26)20-2-6(24)4-22/h5-6,21-24H,1-4,18H2,(H,19,25)(H,20,26) KAEGSAWWVYMWIQ-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aminobenzamides 2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Amino acids and derivatives Aniline and substituted anilines Aryl iodides Benzamides Benzoyl derivatives Hydrocarbon derivatives Iodobenzenes Organic oxides Organoiodides Organopnictogen compounds Primary alcohols Primary amines Secondary alcohols Secondary carboxylic acid amides Vinylogous halides 2-halobenzoic acid or derivatives 4-halobenzoic acid or derivatives Alcohol Amine Amino acid or derivatives Aminobenzamide Aniline or substituted anilines Aromatic homomonocyclic compound Aryl halide Aryl iodide Benzamide Benzoyl Carboxamide group Carboxylic acid derivative Halobenzene Halobenzoic acid or derivatives Hydrocarbon derivative Iodobenzene Organic nitrogen compound Organic oxide Organic oxygen compound Organohalogen compound Organoiodide Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Primary amine Secondary alcohol Secondary carboxylic acid amide Vinylogous halide Aromatic homomonocyclic compounds Detected and Not Quantified logp -0.9 logp -1.20 ALOGPS logs -3.62 ALOGPS solubility 1.70e-01 g/l ALOGPS logp 1.08 ChemAxon pka_strongest_acidic 5.88 ChemAxon pka_strongest_basic 2.57 ChemAxon iupac 5-amino-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboximidic acid ChemAxon average_mass 705.026 ChemAxon mono_mass 704.83297 ChemAxon smiles NC1=C(I)C(C(O)=NCC(O)CO)=C(I)C(C(O)=NCC(O)CO)=C1I ChemAxon formula C14H18I3N3O6 ChemAxon inchi InChI=1S/C14H18I3N3O6/c15-9-7(13(25)19-1-5(23)3-21)10(16)12(18)11(17)8(9)14(26)20-2-6(24)4-22/h5-6,21-24H,1-4,18H2,(H,19,25)(H,20,26) ChemAxon inchikey KAEGSAWWVYMWIQ-UHFFFAOYSA-N ChemAxon polar_surface_area 172.12 ChemAxon refractivity 124.35 ChemAxon polarizability 48.95 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 9 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72679bdf30> 10395011 8570452