<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4987</id>
  <title>T3D4932</title>
  <common-name>Dimethyl dialkyl ammonium chloride</common-name>
  <description>Dimethyl dialkyl ammonium chloride is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]").

Dimethyl dialkyl ammonium chloride belongs to the family of Quaternary Ammonium Salts. These are compounds containing positively charged polyatomic ion of the structure NR4+, R being an alkyl group or an aryl group[1]. (Reference: [1] Quaternary ammonium cation: http://en.wikipedia.org/wiki/Quaternary_ammonium_cation).</description>
  <cas>8001-54-5</cas>
  <pubchem-id>24832093</pubchem-id>
  <chemical-formula>C35H74N</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure></route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity></mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity></toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source></use-source>
  <min-risk-level></min-risk-level>
  <health-effects></health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2014-09-11T05:23:01Z</created-at>
  <updated-at type="dateTime">2016-11-09T01:09:14Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id nil="true"/>
  <omim-id></omim-id>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id></ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC</moldb-smiles>
  <moldb-formula>C35H74N</moldb-formula>
  <moldb-inchi>InChI=1S/C35H74N/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36(3,4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-35H2,1-4H3/q+1</moldb-inchi>
  <moldb-inchikey>VUHVIYBUEGOBMT-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">508.9688</moldb-average-mass>
  <moldb-mono-mass type="decimal">508.582126373</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp></logp>
  <hmdb-id>HMDB32229</hmdb-id>
  <chembl-id></chembl-id>
  <chemspider-id>21242878</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>CHEM003888</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>heptadecyl(hexadecyl)dimethylazanium</iupac>
</compound>
