69147 <common-name>2-(Methylamino)toluene-4-sulphonic acid</common-name> <description>2-(Methylamino)toluene-4-sulphonic acid belongs to the benzenesulfonic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C8H11N1O3S1 and an average molecular weight of 201.24 g/mol.</description> <cas>14338-01-3</cas> <pubchem-id>84360</pubchem-id> <chemical-formula>C8H11N1O3S1</chemical-formula> <weight>201.25</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">2026-04-03T14:36:19Z</created-at> <updated-at type="dateTime">2026-08-24T12:46:43Z</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>CNC1=C(C)C=CC(=C1)S(O)(=O)=O</moldb-smiles> <moldb-formula>C8H11N1O3S1</moldb-formula> <moldb-inchi>InChI=1S/C8H11NO3S/c1-6-3-4-7(13(10,11)12)5-8(6)9-2/h3-5,9H,1-2H3,(H,10,11,12)</moldb-inchi> <moldb-inchikey>JGRPAFZFWIYCMC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">201.24</moldb-average-mass> <moldb-mono-mass type="decimal">201.045964</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>76098</chemspider-id> <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>CHEM065040</chemdb-id> <dsstox-id>DTXSID70162402</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00024660</susdat-id> <iupac>4-methyl-3-(methylamino)benzenesulfonic 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>Benzenesulfonic acids and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0084007</sync-id> <structure-inchikey>JGRPAFZFWIYCMC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>1000000020000000000000000000000000000000000000000000000000000000000008000000020000020200000000000001000000000000000000000010000000000000000100000000000000000000000000000000000000000000040000000400000000000000080000000000080000080000000000000000000000000000000000000080100000000020000000000088000200000008000000000000000000000000000000004000000100000002000000200000000000000000000000000000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAANAAAADQAAAIABBgBgAAAAAQMHAGgAAAAD AgEGQCgAAAADBAZAKAAAAAMEBgBgAAAAAQMGQGgAAAADAwEGQGgAAAADAwEG QCgAAAADBAZAaAAAAAMDARAAIAAAAAYIAGAAAAABAQgAKAAAAAMCCAAoAAAA AwILAAEAAQIgAgNoDAMEAAMFaAwFBmgMBgdoDAcIaAwHCQAJCgAJCwgCCQwI AggCaAxCAQAAAAYCCAcGBQMXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:18:59Z</structure-indexed-at> </compound>