72040 <common-name>1-(6-Amino-1,3-benzodioxol-5-yl)ethan-1-one</common-name> <description>1-(6-Amino-1,3-benzodioxol-5-yl)ethan-1-one belongs to the benzodioxoles, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C9H9N1O3 and an average molecular weight of 179.18 g/mol.</description> <cas>28657-75-2</cas> <pubchem-id>120000</pubchem-id> <chemical-formula>C9H9N1O3</chemical-formula> <weight>179.17</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">2026-04-03T20:41:29Z</created-at> <updated-at type="dateTime">2026-08-25T23:56:45Z</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>CC(=O)C1=CC2=C(OCO2)C=C1N</moldb-smiles> <moldb-formula>C9H9N1O3</moldb-formula> <moldb-inchi>InChI=1S/C9H9NO3/c1-5(11)6-2-8-9(3-7(6)10)13-4-12-8/h2-3H,4,10H2,1H3</moldb-inchi> <moldb-inchikey>DWTHYSZSRJOMSC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">179.175</moldb-average-mass> <moldb-mono-mass type="decimal">179.058243</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>107128</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>CHEM067933</chemdb-id> <dsstox-id>DTXSID00182815</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00028515</susdat-id> <iupac>1-(6-amino-1,3-benzodioxol-5-yl)ethanone</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>Organoheterocyclic compounds</superklass> <klass>Benzodioxoles</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0120488</sync-id> <structure-inchikey>DWTHYSZSRJOMSC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200408000000000000000000000000000000000000000000000000020800000000000400000002000000000000000010000000000000000100000000200020000000000000000000000400000000040000000000000000000000000001000000000000000000000000000000000000000000004000000090000000000000000004000000000000000000000000000000000000000000000000000000000000000000000000000000000000080000800000000010040000000400400000000000000200100000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� �������€���`�������(�������(������@(������@h�������@(������@(�������(�������`�������(������@h�������@(�������h������������(��� ��h���h���h��� ���� �� h� �h��� ��h� � B������� ������� �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:21:06Z</structure-indexed-at> </compound>