<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">84068</id>
  <title nil="true"/>
  <common-name>4-(O-tolylazo)benzene-1,3-diamine monohydrochloride</common-name>
  <description>4-(O-tolylazo)benzene-1,3-diamine monohydrochloride belongs to the azobenzenes, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C13H14N4 and an average molecular weight of 262.74 g/mol. It is utilized in the production of plastics, specifically within Polyamide and Polyethylene Terephthalate.</description>
  <cas>6364-35-8</cas>
  <pubchem-id>80721</pubchem-id>
  <chemical-formula>C13H14N4</chemical-formula>
  <weight>262.74</weight>
  <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">2026-04-04T19:46:56Z</created-at>
  <updated-at type="dateTime">2026-08-18T23:50:40Z</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.CC1=C(C=CC=C1)N=NC1=C(N)C=C(N)C=C1</moldb-smiles>
  <moldb-formula>C13H14N4</moldb-formula>
  <moldb-inchi>InChI=1/C13H14N4.ClH/c1-9-4-2-3-5-12(9)16-17-13-7-6-10(14)8-11(13)15;/h2-8H,14-15H2,1H3;1H</moldb-inchi>
  <moldb-inchikey>KFWVRNPOOBAY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">262.74</moldb-average-mass>
  <moldb-mono-mass type="decimal">226.1218464</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.7</logp>
  <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>CHEM079961</chemdb-id>
  <dsstox-id>DTXSID9064263</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00043919</susdat-id>
  <iupac>4-[(2-methylphenyl)diazenyl]benzene-1,3-diamine</iupac>
  <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>Organoheterocyclic compounds</superklass>
  <klass>Azobenzenes</klass>
  <subklass nil="true"/>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0118688</sync-id>
  <structure-inchikey>KFWVRNPOOBANAY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000000000000000000000000002000000000000000000000000000000000000000000000000000000000000000000000000000040000000000000000000000000000000000000000000000000000100000000000000000004000000000800000000000000000000080000100080000200001000000000008000000000000000000040000000800000004000000000009000000100000000000000000000000000000000000000000000280100000000000000004000000001000000000020000000000000000000000000000000000000000000002000000200000000000000000000000000000040000000000000000000000000000001000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���@������`������@(������@(������@h�������@h�������@h�������@h��������(�������(������@(������@(�������h�������@h�������@(�������h�������@h�������@h������������h���h���h���h���h��� �	(�	
 
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  <structure-indexed-at type="dateTime">2026-09-19T04:29:29Z</structure-indexed-at>
</compound>
