81293 <common-name>Methanesulfonic acid, [(2-methylphenyl)amino]-</common-name> <description nil="true"/> <cas>94-57-5</cas> <pubchem-id>66753</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">2026-04-04T17:43:49Z</created-at> <updated-at type="dateTime">2026-08-24T12:46:58Z</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>CC1=C(NCS(O)(=O)=O)C=CC=C1</moldb-smiles> <moldb-formula>C8H11N1O3S1</moldb-formula> <moldb-inchi>InChI=1S/C8H11NO3S/c1-7-4-2-3-5-8(7)9-6-13(10,11)12/h2-5,9H,6H2,1H3,(H,10,11,12)</moldb-inchi> <moldb-inchikey>HFFSVWNRHLTGLV-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>1.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>60119</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>CHEM077186</chemdb-id> <dsstox-id>DTXSID1059105</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00040407</susdat-id> <iupac>(2-methylanilino)methanesulfonic 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>Organic nitrogen compounds</superklass> <klass>Organonitrogen compounds</klass> <subklass>Amines</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0138025</sync-id> <structure-inchikey>HFFSVWNRHLTGLV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000000000000020000000000000020000000000000000001000000000000000000000000000000000000000008000000000000020200000002000000000000000000000000000010000000000000000000000000000000000000000000000000000000000000040000000804000000000000080000000000100000080000000040000000000000000000000000000080100000080008000000000080000000000000000000000000000000000000000000000000000008000002000000200000000000000000000000000000040000000000000000000000000000001000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ��� ���€���`������@(������@(�������h��������`������� ������`�������(�������(������@h�������@h�������@h�������@h������������h��� ������������������ h� h� �h���h���h�B�������� �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:27:58Z</structure-indexed-at> </compound>