99645 <common-name>Allylbis(2-hydroxyethyl)octadecylammonium chloride</common-name> <description>Allylbis(2-hydroxyethyl)octadecylammonium chloride belongs to the quaternary ammonium salts, a subclass of organonitrogen compounds within the organic compounds. This compound has the chemical formula C25H52NO2 and an average molecular weight of 434.15 g/mol.</description> <cas>93894-16-7</cas> <pubchem-id>3086381</pubchem-id> <chemical-formula>C25H52NO2</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">2026-04-05T07:02:24Z</created-at> <updated-at type="dateTime">2026-04-05T07:02:24Z</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-].CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)CC=C</moldb-smiles> <moldb-formula>C25H52NO2</moldb-formula> <moldb-inchi>InChI=1/C25H52NO2.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26(20-4-2,22-24-27)23-25-28;/h4,27-28H,2-3,5-25H2,1H3;1H/q+1;/p-1</moldb-inchi> <moldb-inchikey>SCZZOCYLUDAHFS-UHFFFAOYSA-M</moldb-inchikey> <moldb-average-mass type="decimal">434.15</moldb-average-mass> <moldb-mono-mass type="decimal">398.3998049</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>CHEM095538</chemdb-id> <dsstox-id>DTXSID90917254</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00062525</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>CED0100413</sync-id> <structure-inchikey>SCZZOCYLUDAHFS-UHFFFAOYSA-M</structure-inchikey> <structure-fingerprint>80000000000000000000800000000400000000000000000000000002000000000000000002000000000000000000001000000002000000000000004000000000000000010000000000010000000000000000000000000200000000000000000000000020010000000000000000000000000040000008000000000000000000000000000040000000000000000000010000000000000000000000000000000000000110008000000000000200000000000000000008000000000000000100040000000000000000000000000000040000000000000000000000000000000000000000000000000000002000000000010000000000000000000000000000000000</structure-fingerprint> 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