289373 <common-name>[5-(dimethylcarbamoyloxy)-2-methylphenyl]-trimethylazanium</common-name> <description>[5-(dimethylcarbamoyloxy)-2-methylphenyl]-trimethylazanium belongs to the phenoxy compounds, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C13H21N2O2+ and an average molecular weight of 237.32 g/mol.</description> <cas nil="true"/> <pubchem-id>46614</pubchem-id> <chemical-formula>C13H21N2O2+</chemical-formula> <weight>237.32</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">2026-08-28T02:50:50Z</created-at> <updated-at type="dateTime">2026-08-28T02:50:50Z</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>CC1=C(C=C(C=C1)OC(=O)N(C)C)[N+](C)(C)C</moldb-smiles> <moldb-formula>C13H21N2O2+</moldb-formula> <moldb-inchi>InChI=1S/C13H21N2O2/c1-10-7-8-11(17-13(16)14(2)3)9-12(10)15(4,5)6/h7-9H,1-6H3/q+1</moldb-inchi> <moldb-inchikey>CALSMDOKQIYOQC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">237.1603029</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2</logp> <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>CHEM285266</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>[5-(dimethylcarbamoyloxy)-2-methylphenyl]-trimethylazanium</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>Phenoxy compounds</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0241066</sync-id> <structure-inchikey>CALSMDOKQIYOQC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000000000008080000000000000000000000000000000020000000000000000000200a000000000000000000000000000000000010000000000000000008000020000000000100000200000000000000000000010000000000000000104000000000000000000000000000000000000000000040000000000000000000000000100000000000000000000000010000000000000000000000000000080100000000000000000000000000000000000200000000000000000000000000000400000000100000002040000200010000000000000000000000000040000000000500000000000000000000004000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAARAAAAEQAAAIABBgBgAAAAAQMGQCgAAAAD BAZAKAAAAAMEBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEI ACgAAAADAgYAKAAAAAMECAAoAAAAAwIHACgAAAADAwYAYAAAAAEDBgBgAAAA AQMHICIAAAABBAYAYAAAAAEDBgBgAAAAAQMGAGAAAAABAwsAAQABAmgMAgNo DAMEaAwEBWgMBQZoDAQHIAcIIAgJKAIICiAKCwAKDAACDQANDgANDwANEAAG AWgMQgEAAAAGAQYFBAMCFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:02:16Z</structure-indexed-at> </compound>