1.0 2016-06-03 13:19:08 UTC 2026-08-18 07:12:25 UTC 7-aminonaphthalene-1,3,5-trisulphonic acid SmallMolecule 7-aminonaphthalene-1,3,5-trisulphonic acid is an organic compound with the formula C10H9NO9S3 and an average molecular weight of 383.36 g/mol. 7-aminonaphthalene-1,3,5-trisulphonic acid belongs to the naphthalene sulfonic acids and derivatives, a subclass of naphthalenes within the organic compounds. Within the broader chemical classification, it is categorized under the superclass of benzenoids. The substance has been identified in or released from 19 recorded sources. In the sector of drinking water and water supply, it is found in bottled water, tap water, desalinated water, and drinking water. It occurs in aquatic systems and sediments, including freshwater, seawater, groundwater, and surface water. Within wastewater, sanitation, and biosolids, it is present in wastewater, unspecified, mine wastewater, industrial wastewater, and wastewater treatment effluent. Additionally, it is associated with appliances, HVAC, and refrigerants, specifically water heaters and water coolers. In the marine, shipping, and aquaculture sector, it is found in bilge water and ballast water. It is also present in irrigation water used in agriculture and land management, as well as two other sectors. Recorded exposure routes for this compound include touch, oral, and inhalation. PMT C10H9NO9S3 383.36 382.943944396 7-aminonaphthalene-1,3,5-trisulfonic acid 7-aminonaphthalene-1,3,5-trisulfonic acid 27310-25-4 NC1=CC2=C(C=C(C=C2S(O)(=O)=O)S(O)(=O)=O)C(=C1)S(O)(=O)=O InChI=1S/C10H9NO9S3/c11-5-1-7-8(9(2-5)22(15,16)17)3-6(21(12,13)14)4-10(7)23(18,19)20/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20) HKTWHHAJDJCUPC-UHFFFAOYSA-N Organic compounds Benzenoids Naphthalenes Naphthalene sulfonic acids and derivatives 2-naphthalene sulfonates 1-naphthalene sulfonates 1-naphthalene sulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds 2-naphthalene sulfonic acids and derivatives Hydrocarbon derivatives Organic oxides Organopnictogen compounds Organosulfonic acids Primary amines Sulfonyls 1-naphthalene sulfonate 1-naphthalene sulfonic acid or derivatives 1-sulfo,2-unsubstituted aromatic compound 2-naphthalene sulfonate 2-naphthalene sulfonic acid or derivatives Amine Aromatic homopolycyclic compound Arylsulfonic acid or derivatives Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organonitrogen compound Organopnictogen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Primary amine Sulfonyl Aromatic homopolycyclic compounds Detected and Not Quantified logp -1.3 logp -2.53 ALOGPS logs -2.62 ALOGPS solubility 9.27e-01 g/l ALOGPS logp -4.9 ChemAxon pka_strongest_acidic -4 ChemAxon pka_strongest_basic 2.69 ChemAxon iupac 7-aminonaphthalene-1,3,5-trisulfonic acid ChemAxon average_mass 383.36 ChemAxon mono_mass 382.943944396 ChemAxon smiles NC1=CC2=C(C=C(C=C2S(O)(=O)=O)S(O)(=O)=O)C(=C1)S(O)(=O)=O ChemAxon formula C10H9NO9S3 ChemAxon inchi InChI=1S/C10H9NO9S3/c11-5-1-7-8(9(2-5)22(15,16)17)3-6(21(12,13)14)4-10(7)23(18,19)20/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20) ChemAxon inchikey HKTWHHAJDJCUPC-UHFFFAOYSA-N ChemAxon polar_surface_area 189.13 ChemAxon refractivity 79.08 ChemAxon polarizability 32.35 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 10 ChemAxon donor_count 4 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7273850ab0> 105679 95259