80219 <common-name>2-Chloro-N-cyclohexyl-N-methyl-4-nitroaniline</common-name> <description>2-Chloro-N-cyclohexyl-N-methyl-4-nitroaniline belongs to the nitrobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C13H17Cl1N2O2 and an average molecular weight of 268.74 g/mol.</description> <cas>85896-14-6</cas> <pubchem-id>2825435</pubchem-id> <chemical-formula>C13H17Cl1N2O2</chemical-formula> <weight nil="true"/> <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">2026-04-04T15:31:04Z</created-at> <updated-at type="dateTime">2026-04-04T15:31:04Z</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>CN(C1CCCCC1)C1=C(Cl)C=C(C=C1)[N+]([O-])=O</moldb-smiles> <moldb-formula>C13H17Cl1N2O2</moldb-formula> <moldb-inchi>InChI=1S/C13H17ClN2O2/c1-15(10-5-3-2-4-6-10)13-8-7-11(16(17)18)9-12(13)14/h7-10H,2-6H2,1H3</moldb-inchi> <moldb-inchikey>ZJKOSGOSCWKMMZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">268.74</moldb-average-mass> <moldb-mono-mass type="decimal">268.097856</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2103578</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>CHEM076112</chemdb-id> <dsstox-id>DTXSID60235215</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00039095</susdat-id> <iupac>2-chloro-N-cyclohexyl-N-methyl-4-nitroaniline</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Nitrobenzenes</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0114369</sync-id> <structure-inchikey>ZJKOSGOSCWKMMZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000200000080000000000000000000000000000000000010000000000000000000000000000000000002000000000000000000000000000000000000000000000000400000000000000000000020000000000000001000000000400000000000004000000200000000104020000000020000000000000000000000104800000041000000000000000000000000100000001000000000000002000020000000000004000000000000080000000000000000000000000000000004000000000000000000000000000000000000000010000000000000000200000000000000420000000000000040000000000000000800001000000000000020000020</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(�������`�������`�������`�������`�������`�������`������@(������@(������� �����@h�������@(������@h�������@h������� *������� *���ÿ����(����������������������������� � h� � �h���h�� h� �h��� �� ��(������h�B������������ �� ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:27:10Z</structure-indexed-at> </compound>