285438 <common-name>3-(n-ethyl-3-methylanilino)-2-hydroxypropane-1-sulfonic acid</common-name> <description>3-(n-ethyl-3-methylanilino)-2-hydroxypropane-1-sulfonic acid belongs to the toluenes, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the chemical formula C12H19NO4S and an average molecular weight of 273.35 g/mol.</description> <cas>96497-76-6</cas> <pubchem-id>125979</pubchem-id> <chemical-formula>C12H19NO4S</chemical-formula> <weight>273.35</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">2026-08-27T21:10:52Z</created-at> <updated-at type="dateTime">2026-08-27T21:10:52Z</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>CCN(CC(CS(=O)(=O)O)O)C1=CC=CC(=C1)C</moldb-smiles> <moldb-formula>C12H19NO4S</moldb-formula> <moldb-inchi>InChI=1S/C12H19NO4S/c1-3-13(8-12(14)9-18(15,16)17)11-6-4-5-10(2)7-11/h4-7,12,14H,3,8-9H2,1-2H3,(H,15,16,17)</moldb-inchi> <moldb-inchikey>ZTQGWROHRVYSPW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">273.1034793</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1</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>CHEM281331</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>3-(n-ethyl-3-methylanilino)-2-hydroxypropane-1-sulfonic 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>Benzene and substituted derivatives</klass> <subklass>Toluenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0237264</sync-id> <structure-inchikey>ZTQGWROHRVYSPW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000a0000000000000000000000008000000000010000000000000008200000000000002000000000000000008000000000000000000000000000000000000000000800000000000002000000000000000000000000000000000000001000000000000080010400000000000080000000000000000000400000100014000000080c000000000000000000000000000008000000000000000000000000000000000000000080000000000000000000000080000000000000000000000000000000000000000000000000001000000002020000200000000000000000100000000080040000100000000800000000000000000080000000200</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAASAAAAEgAAAIABBgBgAAAAAQMGAGAAAAAC AgcAKAAAAAMDBgBgAAAAAgIGAGAAAAADAQYAYAAAAAICEAAgAAAABggAKAAA AAMCCAAoAAAAAwIIAGAAAAABAQgAYAAAAAEBBkAoAAAAAwQGQGgAAAADAwEG QGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQYAYAAAAAEDCwAB AAECAAIDAAMEAAQFAAUGAAYHCAIGCAgCBgkABAoAAgsgCwxoDAwNaAwNDmgM Dg9oDA8QaAwPEQAQC2gMQgEAAAAGCxAPDg0MFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:59:24Z</structure-indexed-at> </compound>