72422 <common-name>Benzenamine, 4-[(2-chloro-4-nitrophenyl)azo]-N-ethyl-N-(2-phenoxyethyl)-</common-name> <description>Benzenamine, 4-[(2-chloro-4-nitrophenyl)azo]-N-ethyl-N-(2-phenoxyethyl)- belongs to the azobenzenes, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C22H21Cl1N4O3 and an average molecular weight of 424.89 g/mol.</description> <cas>31030-27-0</cas> <pubchem-id>161687</pubchem-id> <chemical-formula>C22H21Cl1N4O3</chemical-formula> <weight>424.9</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">2026-04-03T22:00:09Z</created-at> <updated-at type="dateTime">2026-08-21T21:38:40Z</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>CCN(CCOC1=CC=CC=C1)C1=CC=C(C=C1)N=NC1=C(Cl)C=C(C=C1)[N+]([O-])=O</moldb-smiles> <moldb-formula>C22H21Cl1N4O3</moldb-formula> <moldb-inchi>InChI=1S/C22H21ClN4O3/c1-2-26(14-15-30-20-6-4-3-5-7-20)18-10-8-17(9-11-18)24-25-22-13-12-19(27(28)29)16-21(22)23/h3-13,16H,2,14-15H2,1H3/b25-24-</moldb-inchi> <moldb-inchikey>FPZLDEMJTIKTJQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">424.89</moldb-average-mass> <moldb-mono-mass type="decimal">424.130218</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>142010</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>CHEM068315</chemdb-id> <dsstox-id>DTXSID6067591</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00029013</susdat-id> <iupac>4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethyl-N-(2-phenoxyethyl)aniline</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>CED0180142</sync-id> <structure-inchikey>FPZLDEMJTIKTJQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>42000000000000000800002000002000000000000080000200000000000000002000002000000200000000002000004000000000000000000000000000000000000000000600000000000000000000020000000000100001004000000400000000000000400000200000000104000000000001800000080000000000000000020000040000400808000000000000000000000001102000000000000000020000000000000000000000000080000000000000000088000000001000004000000000000000100000000000000000000000091000000000000000200000000000000420000010002000040000000000000000801001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAeAAAAIAAAAIABBgBgAAAAAQMGAGAAAAAC AgcAKAAAAAMDBgBgAAAAAgIGAGAAAAACAggAKAAAAAMCBkAoAAAAAwQGQGgA AAADAwEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQCgA AAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAA AwMBBwAoAAAAAwMHACgAAAADAwZAKAAAAAMEBkAoAAAAAwQRACAAAAABBkBo AAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEHICoAAAABAwQIICoA AAD/AwEIACgAAAADAgsAAQABAgACAwADBAAEBQAFBiAGB2gMBwhoDAgJaAwJ CmgMCgtoDAIMIAwNaAwNDmgMDg9oDA8QaAwQEWgMDxIgEhMoAhMUIBQVaAwV FgAVF2gMFxhoDBgZaAwZGmgMGBsgGxwgGx0oAgsGaAwRDGgMGhRoDEIDAAAA BgcICQoLBgYNDg8QEQwGFRcYGRoUFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:21:21Z</structure-indexed-at> </compound>