73318 <common-name>Benzenesulfonic acid, 3-amino-4-ethyl-</common-name> <description nil="true"/> <cas>3694-83-5</cas> <pubchem-id>77278</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">2026-04-03T23:27:11Z</created-at> <updated-at type="dateTime">2026-08-24T12:46:31Z</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>CCC1=CC=C(C=C1N)S(O)(=O)=O</moldb-smiles> <moldb-formula>C8H11N1O3S1</moldb-formula> <moldb-inchi>InChI=1S/C8H11NO3S/c1-2-6-3-4-7(5-8(6)9)13(10,11)12/h3-5H,2,9H2,1H3,(H,10,11,12)</moldb-inchi> <moldb-inchikey>CORQIZCSHKRWRQ-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>0.8</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>69700</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>CHEM069211</chemdb-id> <dsstox-id>DTXSID1063140</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00030129</susdat-id> <iupac>3-amino-4-ethylbenzenesulfonic 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>CED0119554</sync-id> <structure-inchikey>CORQIZCSHKRWRQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000000000000002000001000100020000000000000000000000000000000000000000000000000000000000008000000020000020000000000000001000000000000000000000010001000000000000100000000200000000000000000000000000000000000040000000000000000000000000001000000000000000000000000000000000000000000004000000080000000000000000004000088000000000008000000000000000000000000000000000000000000000000000040200000000000100000000000000000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>510000000903020081000080010820000000040000052000202420408200001c4400001000900000000001080080000004200020008c30010000543000a0408084110420020004030090108000e20200000005805000113240000420000200000c3004060048020000000000c0180040204080100101c0045198000000110002004000080c4c00000c000204080c0008100c00124c0014820300080000024080404300000000400000000840013c211002c000008141084010000210084002100000008404480012018000000401028000000000020051000c00000008000100000008100201000000000001001220002010001000400002c008000052000400</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ��� ���€���`�������`������@(������@h�������@h�������@(������@h�������@(�������h�������� ������`�������(�������(��������������h���h���h���h���h��� � � � ��� �����h�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:22:04Z</structure-indexed-at> </compound>