67165 <common-name>4,4'-Methylenebis(2-nitroaniline)</common-name> <description>4,4'-Methylenebis(2-nitroaniline) belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. It is a member of the benzenoids superclass with the formula C13H12N4O4. This compound has an average molecular weight of 288.26 g/mol.</description> <cas>17474-44-1</cas> <pubchem-id>87127</pubchem-id> <chemical-formula>C13H12N4O4</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">2026-04-03T08:54:34Z</created-at> <updated-at type="dateTime">2026-04-03T08:54:34Z</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>NC1=C(C=C(CC2=CC(=C(N)C=C2)[N+]([O-])=O)C=C1)[N+]([O-])=O</moldb-smiles> <moldb-formula>C13H12N4O4</moldb-formula> <moldb-inchi>InChI=1S/C13H12N4O4/c14-10-3-1-8(6-12(10)16(18)19)5-9-2-4-11(15)13(7-9)17(20)21/h1-4,6-7H,5,14-15H2</moldb-inchi> <moldb-inchikey>WJLPZRZKWVPCMN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">288.263</moldb-average-mass> <moldb-mono-mass type="decimal">288.085855</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>78452</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>CHEM063058</chemdb-id> <dsstox-id>DTXSID70169895</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00021042</susdat-id> <iupac>4-[(4-amino-3-nitrophenyl)methyl]-2-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>Diphenylmethanes</subklass> <paper-count type="integer">1</paper-count> <sync-id>CED0061813</sync-id> <structure-inchikey>WJLPZRZKWVPCMN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000000000000000000200000000002000000000000000000000000000001000000000000000000000000000000000000000000020000000000000001800000000400000000000000000000200000000100000000200002000800000000000000000000000000000000000000000000000000000001000001000000000000000000020000000000000000000000000080000000000020000004000000000000000000000000000000000000000000000000000000000000000000000000220000000000000000000001000000040000000000000000000001000000000080000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAVAAAAFgAAAIABBwBoAAAAAwECBkAoAAAA AwQGQCgAAAADBAZAaAAAAAMDAQZAKAAAAAMEBgBgAAAAAgIGQCgAAAADBAZA aAAAAAMDAQZAKAAAAAMEBkAoAAAAAwQHAGgAAAADAQIGQGgAAAADAwEGQGgA AAADAwEHICoAAAABAwQIICoAAAD/AwEIACgAAAADAgZAaAAAAAMDAQZAaAAA AAMDAQcgKgAAAAEDBAggKgAAAP8DAQgAKAAAAAMCCwABIAECaAwCA2gMAwRo DAQFAAUGAAYHaAwHCGgMCAloDAkKIAkLaAwLDGgMCA0gDQ4gDQ8oAgQQaAwQ EWgMAhIgEhMgEhQoAhEBaAwMBmgMQgIAAAAGAREQBAMCBgcICQsMBhcEAAAA AAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:17:31Z</structure-indexed-at> </compound>