113448 <common-name>7-[(4-Aminophenyl)azo]naphthalene-1,3-disulphonic acid</common-name> <description>7-[(4-Aminophenyl)azo]naphthalene-1,3-disulphonic acid belongs to the naphthalene sulfonic acids and derivatives, a subclass of naphthalenes within the organic compounds. It is a member of the benzenoids superclass with the chemical formula C16H13N3O6S2 and an average molecular weight of 407.40 g/mol.</description> <cas>61827-77-8</cas> <pubchem-id>106015</pubchem-id> <chemical-formula>C16H13N3O6S2</chemical-formula> <weight>407.4</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-05T20:56:38Z</created-at> <updated-at type="dateTime">2026-08-28T17:15:13Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>C1=CC(=CC=C1N)N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)O</moldb-smiles> <moldb-formula>C16H13N3O6S2</moldb-formula> <moldb-inchi>InChI=1/C16H13N3O6S2/c17-11-2-5-12(6-3-11)18-19-13-4-1-10-7-14(26(20,21)22)9-16(15(10)8-13)27(23,24)25/h1-9H,17H2,(H,20,21,22)(H,23,24,25)</moldb-inchi> <moldb-inchikey>QSKBOKGWPXTVNO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">407.0245771</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.8</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM109341</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00086197</susdat-id> <iupac>7-[(4-aminophenyl)diazenyl]naphthalene-1,3-disulfonic acid</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Naphthalenes</klass> <subklass>Naphthalene sulfonic acids and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0090456</sync-id> <structure-inchikey>QSKBOKGWPXTVNO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80300000000000000000200000000005000000020000000000800000000000100000000000000000000000000000000000008000000020000020000020000000000004000000008000000000010000000800000000100080000000001000000000000000000000000000000000000000000000000000000000009000000000000000000000000000000400000000000000040000080000000000000000004000088000000000000000000000000100000000000000000000000080000000000000000200000000000008000000000003000040000000000000000000000000000000000000000000</structure-fingerprint> 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