330964 <common-name>4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-n-ethyl-3-methyl-n-(2-pyridin-1-ium-1-ylethyl)aniline</common-name> <description>4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-n-ethyl-3-methyl-n-(2-pyridin-1-ium-1-ylethyl)aniline is a chemical compound with the formula C22H22BrN6O4+. With an average molecular weight of 514.40 g/mol, 4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-n-ethyl-3-methyl-n-(2-pyridin-1-ium-1-ylethyl)aniline is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>111786</pubchem-id> <chemical-formula>C22H22BrN6O4+</chemical-formula> <weight>514.4</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">2026-08-30T11:40:13Z</created-at> <updated-at type="dateTime">2026-08-30T11:40:13Z</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(CC[N+]1=CC=CC=C1)C2=CC(=C(C=C2)N=NC3=C(C=C(C=C3Br)[N+](=O)[O-])[N+](=O)[O-])C</moldb-smiles> <moldb-formula>C22H22BrN6O4+</moldb-formula> <moldb-inchi>InChI=1S/C22H22BrN6O4/c1-3-27(12-11-26-9-5-4-6-10-26)17-7-8-20(16(2)13-17)24-25-22-19(23)14-18(28(30)31)15-21(22)29(32)33/h4-10,13-15H,3,11-12H2,1-2H3/q+1</moldb-inchi> <moldb-inchikey>PLDJZGIGPVZSSJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">513.08859</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.6</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>CHEM326857</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>4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-n-ethyl-3-methyl-n-(2-pyridin-1-ium-1-ylethyl)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" nil="true"/> <sync-id>CED0281506</sync-id> <structure-inchikey>PLDJZGIGPVZSSJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000000000800000000002000000040000080001000000000000000000000002000000008000002000000004000000200040000001000000000000000000000000000000000000002000000020000000000000001805800000400000000000000400004200400000104000000000001800001080000000001000000000000044000000808000000000000000000000001000000000000400000020000000000000000000000008080900000000000000000000000001000000000000000000000000000000000100000000440001000000002000000200000000000000400000000000000040200000000000800001001000000000000000000000</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�������@(�����#� ����� *��������(������ *���ÿ��� *��������(������ *���ÿ����`�����������������������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">2026-09-19T05:33:23Z</structure-indexed-at> </compound>