62976 <common-name>Ethanol, 2-(3-(methylamino)-4-nitrophenoxy)-</common-name> <description>Ethanol, 2-(3-(methylamino)-4-nitrophenoxy)- is an organic compound with the chemical formula C9H12N2O4 and an average molecular weight of 212.21 g/mol. Ethanol, 2-(3-(methylamino)-4-nitrophenoxy)- belongs to the nitrobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. It is further classified under the superclass of benzenoids. This compound is used industrially as a dye.</description> <cas>59820-63-2</cas> <pubchem-id>93326</pubchem-id> <chemical-formula>C9H12N2O4</chemical-formula> <weight>212.2</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">2026-04-02T22:53:01Z</created-at> <updated-at type="dateTime">2026-08-25T10:48:45Z</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>CNC1=C(C=CC(OCCO)=C1)[N+]([O-])=O</moldb-smiles> <moldb-formula>C9H12N2O4</moldb-formula> <moldb-inchi>InChI=1S/C9H12N2O4/c1-10-8-6-7(15-5-4-12)2-3-9(8)11(13)14/h2-3,6,10,12H,4-5H2,1H3</moldb-inchi> <moldb-inchikey>IUTYXFLUCZMDMM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">212.205</moldb-average-mass> <moldb-mono-mass type="decimal">212.079707</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.6</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>84254</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>CHEM058869</chemdb-id> <dsstox-id>DTXSID30208552</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00013861</susdat-id> <iupac>2-[3-(methylamino)-4-nitrophenoxy]ethanol</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>Nitrobenzenes</subklass> <paper-count type="integer">10</paper-count> <sync-id>CED0035094</sync-id> <structure-inchikey>IUTYXFLUCZMDMM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000800000008000000000000000000000000002000000000000000000000000200000002000000000000000000000400000004000000000000000000000000000000000000000000020000000000100001a00000000400000000000010000000200000000100000000000000000000000000000000000000020000040000000400000000000000080800000001000000080000000000000000000000000000008000040080000000010020000080000000000240000000000000000000000000000000000000000000000000000000000000200000000000000000000000000000040000000000000000000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAADwAAAIABBgBgAAAAAQMHAGgAAAAD AgEGQCgAAAADBAZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQI ACgAAAADAgYAYAAAAAICBgBgAAAAAgIIAGAAAAABAQZAaAAAAAMDAQcgKgAA AAEDBAggKgAAAP8DAQgAKAAAAAMCCwABAAECIAIDaAwDBGgMBAVoDAUGaAwG ByAHCAAICQAJCgAGC2gMAwwgDA0gDA4oAgsCaAxCAQAAAAYCCwYFBAMXBAAA AAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:15:58Z</structure-indexed-at> </compound>