69305 <common-name>3-(Ethyl(3-methylphenyl)amino)propanenitrile</common-name> <description>3-(Ethyl(3-methylphenyl)amino)propanenitrile belongs to the toluenes, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the formula C12H16N2 and an average molecular weight of 188.27 g/mol.</description> <cas>148-69-6</cas> <pubchem-id>67363</pubchem-id> <chemical-formula>C12H16N2</chemical-formula> <weight>188.27</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">2026-04-03T14:50:27Z</created-at> <updated-at type="dateTime">2026-08-18T18:42:52Z</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>CCN(CCC#N)C1=CC(C)=CC=C1</moldb-smiles> <moldb-formula>C12H16N2</moldb-formula> <moldb-inchi>InChI=1S/C12H16N2/c1-3-14(9-5-8-13)12-7-4-6-11(2)10-12/h4,6-7,10H,3,5,9H2,1-2H3</moldb-inchi> <moldb-inchikey>NPCCPMHHNIOSHL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">188.274</moldb-average-mass> <moldb-mono-mass type="decimal">188.131349</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.9</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>60693</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>CHEM065198</chemdb-id> <dsstox-id>DTXSID5051735</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00024870</susdat-id> <iupac>3-(N-ethyl-3-methylanilino)propanenitrile</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>Toluenes</subklass> <paper-count type="integer">8</paper-count> <sync-id>CED0037707</sync-id> <structure-inchikey>NPCCPMHHNIOSHL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>804000000000000000000000080000000000002008000000000082000000000000000000000000000004000000000000000000000000000000000000000000000000000000000000000020000000000000000000000000000200000400000000000800104000000000000800000000000000000004000001000140000000c08000000000000000000000000000000000000000000000000000000000000000000000088000000000000000000000000000000000000000000000000000000000000000000000000001000000002000000200000000000000000100000000000040000000000000800001000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADgAAAIABBgBgAAAAAQMGAGAAAAAC AgcAKAAAAAMDBgBgAAAAAgIGAGAAAAACAgYAKAAAAAIEBwAoAAAAAgMGQCgA AAADBAZAaAAAAAMDAQZAKAAAAAMEBgBgAAAAAQMGQGgAAAADAwEGQGgAAAAD AwEGQGgAAAADAwELAAEAAQIAAgMAAwQABAUABQYIAwIHIAcIaAwICWgMCQoA CQtoDAsMaAwMDWgMDQdoDEIBAAAABgcNDAsJCBcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:19:05Z</structure-indexed-at> </compound>