<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">5045</id>
  <title>T3D4986</title>
  <common-name>p-Anisidine</common-name>
  <description>p-Anisidine is a polyphenol compound found in foods of plant origin  (A15261).

p-Anisidine belongs to the family of Anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.</description>
  <cas>104-94-9</cas>
  <pubchem-id>7732</pubchem-id>
  <chemical-formula>C7H9NO</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point>57.2 °C</melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility>21 mg/mL at 20 °C</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>oral ingestion, inhalation or skin contact</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>p-Anisidine reacts with secondary oxidation products such as aldehydes and ketones in fats and oils. (Wikipedia)</mechanism-of-toxicity>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>3, not classifiable as to its carcinogenicity to humans. (L135)</carcinogenicity>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects>P-Anisidine is the most toxic of the three isomers of anisidine and causes blood damage upon oral ingestion, inhalation or skin contact. If heated strongly, it may release very toxic fumes of nitrogen oxides. (Wikipedia)</health-effects>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-10-14T21:19:54Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:27:01Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>http://en.wikipedia.org/wiki/p-Anisidine</wikipedia>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C19326</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>163384</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>COC1=CC=C(N)C=C1</moldb-smiles>
  <moldb-formula>C7H9NO</moldb-formula>
  <moldb-inchi>InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3</moldb-inchi>
  <moldb-inchikey>InChIKey=BHAAPTBBJKJZER-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">123.1525</moldb-average-mass>
  <moldb-mono-mass type="decimal">123.068413915</moldb-mono-mass>
  <origin>Endogenous</origin>
  <state nil="true"/>
  <logp>0.95</logp>
  <hmdb-id>HMDB29300</hmdb-id>
  <chembl-id nil="true"/>
  <chemspider-id>13869414</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>
