327996 <common-name>Methyl 2-[1-(4-tert-butylphenyl)propan-2-yldiazenyl]benzoate</common-name> <description>Methyl 2-[1-(4-tert-butylphenyl)propan-2-yldiazenyl]benzoate is a chemical compound with the formula C21H26N2O2. It has an average molecular weight of 338.40 g/mol.</description> <cas>91-51-0</cas> <pubchem-id>121232773</pubchem-id> <chemical-formula>C21H26N2O2</chemical-formula> <weight>338.4</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">2026-08-30T07:37:49Z</created-at> <updated-at type="dateTime">2026-08-30T07:37:49Z</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>CC(CC1=CC=C(C=C1)C(C)(C)C)N=NC2=CC=CC=C2C(=O)OC</moldb-smiles> <moldb-formula>C21H26N2O2</moldb-formula> <moldb-inchi>InChI=1S/C21H26N2O2/c1-15(14-16-10-12-17(13-11-16)21(2,3)4)22-23-19-9-7-6-8-18(19)20(24)25-5/h6-13,15H,14H2,1-5H3</moldb-inchi> <moldb-inchikey>HCYRUADDKFDUII-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">338.1994281</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.9</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>CHEM323889</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>Methyl 2-[1-(4-tert-butylphenyl)propan-2-yldiazenyl]benzoate</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>Benzoic acids and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0278596</sync-id> <structure-inchikey>HCYRUADDKFDUII-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000200040000000000180000000200000004020000000000000000000800000000000100000020000000000000000002080000000000000000000000000400000000000000000000000000000000000002000000000010000000400000000000000000001000000004000c000000000002000001080000000000000000000800000000040000000800000000000000080000000000100000000000000000000000000000000001000000000280000000040000001000000000000000000000000000800000000000000000000000000400000000000000000000220000000000000000000000000000040800000000400400000000000000100000000000000</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���h���h���h���h��� ��(��� �����h���h�B����������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:31:09Z</structure-indexed-at> </compound>