5646 <common-name>2,4-Diaminoanisole sulfate</common-name> <description>2,4-Diaminoanisole sulfate belongs to the aminophenyl ethers, a subclass of phenol ethers within the organic compounds. It is classified under the superclass of benzenoids. The compound has the formula C7H12N2O5S and an average molecular weight of 236.24 g/mol.</description> <cas>39156-41-7</cas> <pubchem-id>38221</pubchem-id> <chemical-formula>C7H12N2O5S</chemical-formula> <weight>236.25</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">2016-05-19T01:49:43Z</created-at> <updated-at type="dateTime">2026-04-17T17:01:43Z</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>OS(O)(=O)=O.COC1=C(N)C=C(N)C=C1</moldb-smiles> <moldb-formula>C7H12N2O5S</moldb-formula> <moldb-inchi>InChI=1S/C7H10N2O.H2O4S/c1-10-7-3-2-5(8)4-6(7)9;1-5(2,3)4/h2-4H,8-9H2,1H3;(H2,1,2,3,4)</moldb-inchi> <moldb-inchikey>FDJQHYWUHGBBTO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">236.24</moldb-average-mass> <moldb-mono-mass type="decimal">236.046692668</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM004541</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00089009</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>61.269999999999996</moldb-polar-surface-area> <moldb-refractivity>41.922000000000004</moldb-refractivity> <moldb-polarizability>14.60027124556325</moldb-polarizability> <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>5.707981084819111</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>0.09</moldb-alogps-logp> <moldb-alogps-logs>-0.52</moldb-alogps-logs> <moldb-alogps-solubility>4.17e+01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Phenol ethers</klass> <subklass>Aminophenyl ethers</subklass> <paper-count type="integer">35</paper-count> <sync-id>CED0025723</sync-id> <structure-inchikey>FDJQHYWUHGBBTO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000000000000000000000000000000000000400000000000000000000000020000000000000000000000000000000000000000000000000000000000008000000000000120000000000100000000080000000000000000010000000040000000102080000200000000000000000000000000000000800040000000000000004000000000009000000000000000000000000000000000000000000000000000080000000000000000004000080000000000000080000000000000000000000000000000000000000000000000000200000000000000000000000000000040000000000000000000000020000000000000000000</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">2026-09-19T04:02:01Z</structure-indexed-at> </compound>