<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4271</id>
  <title>T3D4217</title>
  <common-name>O-Toluidine</common-name>
  <description>The chemical properties of the toluidines are quite similar to those of aniline and toluidines have properties in common with other aromatic amines. Due to the amino group bonded to the aromatic ring, the toluidines are weakly basic. None of the toluidines is very soluble in pure water, but will become soluble if the aqueous solution is acidic due to formation of ammonium salts, as usual for organic amines. At room temperature and pressure, ortho- and meta-toluidines are viscous liquids, but para-toluidine is a flaky solid. This can be explained by the fact that the p-toluidine molecules are more symmetrical and fit into a crystalline structure more easily. p-Toluidine can be obtained from reduction of p-nitrotoluene. p-Toluidine reacts with formaldehyde to form Troger's base.</description>
  <cas>95-53-4</cas>
  <pubchem-id>7242</pubchem-id>
  <chemical-formula>C7H9N</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point>-16.3°C</melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility>16.6 mg/mL at 25°C</solubility>
  <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>1, carcinogenic to humans. (L135)</carcinogenicity>
  <use-source>This is a toxic chemical found in cigarettes or generated by tobacco combustion.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T05:53:47Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:26:42Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>o-toluidine</wikipedia>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C14403</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>66892</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>CC1=CC=CC=C1N</moldb-smiles>
  <moldb-formula>C7H9N</moldb-formula>
  <moldb-inchi>InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3</moldb-inchi>
  <moldb-inchikey>InChIKey=RNVCVTLRINQCPJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">107.1531</moldb-average-mass>
  <moldb-mono-mass type="decimal">107.073499293</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp>1.32</logp>
  <hmdb-id>HMDB41965</hmdb-id>
  <chembl-id>CHEMBL1381</chembl-id>
  <chemspider-id>13854136</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"/>
</compound>
