77468 <common-name>Propanenitrile, 3-[[4-[(2-bromo-4-nitrophenyl)azo]phenyl](2-phenylethyl)amino]-</common-name> <description>Propanenitrile, 3-[[4-[(2-bromo-4-nitrophenyl)azo]phenyl](2-phenylethyl)amino]- belongs to the azobenzenes, a class of organoheterocyclic compounds within the organic compounds. It has the chemical formula C23H20Br1N5O2 and an average molecular weight of 478.35 g/mol.</description> <cas>64071-85-8</cas> <pubchem-id>116534</pubchem-id> <chemical-formula>C23H20Br1N5O2</chemical-formula> <weight>478.3</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">2026-04-04T09:52:11Z</created-at> <updated-at type="dateTime">2026-08-30T16:36:48Z</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>[O-][N+](=O)C1=CC=C(N=NC2=CC=C(C=C2)N(CCC#N)CCC2=CC=CC=C2)C(Br)=C1</moldb-smiles> <moldb-formula>C23H20Br1N5O2</moldb-formula> <moldb-inchi>InChI=1S/C23H20BrN5O2/c24-22-17-21(29(30)31)11-12-23(22)27-26-19-7-9-20(10-8-19)28(15-4-14-25)16-13-18-5-2-1-3-6-18/h1-3,5-12,17H,4,13,15-16H2</moldb-inchi> <moldb-inchikey>ZAHBEAVYBXUUQZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">478.35</moldb-average-mass> <moldb-mono-mass type="decimal">477.080038</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>104185</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>CHEM073361</chemdb-id> <dsstox-id>DTXSID8070043</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00035630</susdat-id> <iupac>3-[4-[(2-bromo-4-nitrophenyl)diazenyl]-N-(2-phenylethyl)anilino]propanenitrile</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>CED0145190</sync-id> <structure-inchikey>ZAHBEAVYBXUUQZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2020000000000000804000000002000000000000000000200000002008000000000000000000000000000000000004000004000000000000000000000000000000000000000000000020000000000022000020000000001004800000400000010200000000004200000000104000000000001000000080000000000000000000040000200400c08000000000000000000000001100000000001000000020000000000000000000000000088000000000000000000000000001000000000000000000000100000000000100000000000081000000000000000220000000000000420000080002000040200000000000000801001000000000000000000000</structure-fingerprint> 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