<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3882</id>
  <title>T3D3827</title>
  <common-name>Diethyltoluamide</common-name>
  <description>Diethyltoluamide, abbreviated DEET, is a slightly yellow oil. It is the most common active ingredient in insect repellents. It is intended to be applied to the skin or to clothing, and provides protection against mosquitos, ticks, fleas, chiggers, and many other biting insects.</description>
  <cas>134-62-3</cas>
  <pubchem-id>4284</pubchem-id>
  <chemical-formula>C12H17NO</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point>-33°C</melting-point>
  <boiling-point>288-292°C</boiling-point>
  <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>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2013-04-25T07:56:51Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:26:33Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C10935</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>7071</chebi-id>
  <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>CCN(CC)C(=O)C1=CC=CC(C)=C1</moldb-smiles>
  <moldb-formula>C12H17NO</moldb-formula>
  <moldb-inchi>InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3</moldb-inchi>
  <moldb-inchikey>InChIKey=MMOXZBCLCQITDF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">191.2695</moldb-average-mass>
  <moldb-mono-mass type="decimal">191.131014171</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL1453317</chembl-id>
  <chemspider-id>4133</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></synthesis-reference>
  <structure-image-caption nil="true"/>
</compound>
