98055 <common-name>Diethylmethyl[2-[(2-methyl-1-oxoallyl)oxy]propyl]ammonium chloride</common-name> <description>Diethylmethyl[2-[(2-methyl-1-oxoallyl)oxy]propyl]ammonium chloride belongs to the quaternary ammonium salts, a subclass of organonitrogen compounds within the organic compounds. It has the chemical formula C12H24NO2 and an average molecular weight of 249.78 g/mol.</description> <cas>71085-11-5</cas> <pubchem-id>21149537</pubchem-id> <chemical-formula>C12H24NO2</chemical-formula> <weight nil="true"/> <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">2026-04-05T05:46:41Z</created-at> <updated-at type="dateTime">2026-04-05T05:46:41Z</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>[Cl-].CC[N+](C)(CC)CC(C)OC(=O)C(C)=C</moldb-smiles> <moldb-formula>C12H24NO2</moldb-formula> <moldb-inchi>InChI=1/C12H24NO2.ClH/c1-7-13(6,8-2)9-11(5)15-12(14)10(3)4;/h11H,3,7-9H2,1-2,4-6H3;1H/q+1;/p-1</moldb-inchi> <moldb-inchikey>HKPRSSWULXYHGA-UHFFFAOYSA-M</moldb-inchikey> <moldb-average-mass type="decimal">249.78</moldb-average-mass> <moldb-mono-mass type="decimal">214.180704</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM093948</chemdb-id> <dsstox-id>DTXSID40991408</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00060526</susdat-id> <iupac nil="true"/> <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>Organic nitrogen compounds</superklass> <klass>Organonitrogen compounds</klass> <subklass>Quaternary ammonium salts</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0074831</sync-id> <structure-inchikey>HKPRSSWULXYHGA-UHFFFAOYSA-M</structure-inchikey> <structure-fingerprint>400000000000000004008000000008000000000000000000000000000000000000000010020000080000000000000000000000020000000000000002000000000000000000000000000000000000080000200000010001000000000000000000000000000100000000000000000000000000000000000000000088000000004200400000c0000000000000000000000000000000000010800000000000000000000000000000000000000200000000000000000000000080000000000000400000000000000000000040000000000000000000000000000000000000000000000000000000000000002000000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAADgAAAIABESACAAAA/wYAYAAAAAED BgBgAAAAAgIHICIAAAABBAYAYAAAAAEDBgBgAAAAAgIGAGAAAAABAwYAYAAA AAICBgBgAAAAAwEGAGAAAAABAwgAKAAAAAMCBgAoAAAAAwQIACgAAAADAgYA KAAAAAMEBgBgAAAAAQMGAGgAAAADAgILAQIAAgMAAwQAAwUABQYAAwcABwgA CAkACAoACgsgCwwoAgsNIA0OAA0PKAJCAAAAABcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:37:56Z</structure-indexed-at> </compound>