285669 <common-name>[3-hydroxy-5-(trimethylazaniumyl)phenyl]-trimethylazanium</common-name> <description>[3-hydroxy-5-(trimethylazaniumyl)phenyl]-trimethylazanium belongs to the aniline and substituted anilines, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C12H22N2O+2 and an average molecular weight of 210.32 g/mol.</description> <cas nil="true"/> <pubchem-id>47045</pubchem-id> <chemical-formula>C12H22N2O+2</chemical-formula> <weight>210.32</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">2026-08-27T21:24:31Z</created-at> <updated-at type="dateTime">2026-08-27T21:24:31Z</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>C[N+](C)(C)C1=CC(=CC(=C1)O)[N+](C)(C)C</moldb-smiles> <moldb-formula>C12H22N2O+2</moldb-formula> <moldb-inchi>InChI=1S/C12H21N2O/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9H,1-6H3/q+1/p+1</moldb-inchi> <moldb-inchikey>OJUJUGCKJGGXQE-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">210.1732133</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.4</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>CHEM281562</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>[3-hydroxy-5-(trimethylazaniumyl)phenyl]-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>Aniline and substituted anilines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0237490</sync-id> <structure-inchikey>OJUJUGCKJGGXQE-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>100000000000000000000000000000000000000000000000000000000000002000000000000000000000000000000000000000000000010000008000010000000000000000000000040400000000000010000000000000000100000000000000000000000000000000002000000000040000000000000000000000000000000000000000000000000000000000000000000000000000000080000000000000000000000000000000000000000000000000000002000000000100000000000000000000000000000010000000000000000000000000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAADwAAAIABBgBgAAAAAQMHICIAAAAB BAYAYAAAAAEDBgBgAAAAAQMGQCgAAAADBAZAaAAAAAMDAQZAKAAAAAMEBkBo AAAAAwMBBkAoAAAAAwQGQGgAAAADAwEIAGgAAAADAQEHICIAAAABBAYAYAAA AAEDBgBgAAAAAQMGAGAAAAABAwsAAQABAgABAwABBAAEBWgMBQZoDAYHaAwH CGgMCAloDAgKIAYLAAsMAAsNAAsOAAkEaAxCAQAAAAYECQgHBgUXBAAAAAAA AAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:59:34Z</structure-indexed-at> </compound>