87185 <common-name>Bis[2-[[4-(2,2-dicyanovinyl)-3-methylphenyl]ethylamino]ethyl] adipate</common-name> <description>Bis[2-[[4-(2,2-dicyanovinyl)-3-methylphenyl]ethylamino]ethyl] adipate belongs to the toluenes, a subclass of benzene and substituted derivatives within the organic compounds. It has the chemical formula C36H40N6O4. With an average molecular weight of 620.75 g/mol, Bis[2-[[4-(2,2-dicyanovinyl)-3-methylphenyl]ethylamino]ethyl] adipate is a heavy molecule. It is further classified as a benzenoid.</description> <cas nil="true"/> <pubchem-id>14693645</pubchem-id> <chemical-formula>C36H40N6O4</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">2026-04-04T22:06:17Z</created-at> <updated-at type="dateTime">2026-04-04T22:06:17Z</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(CCOC(=O)CCCCOC(=O)CCN(CC)C1=CC(C)=C(C=C(C#N)C#N)C=C1)C1=CC(C)=C(C=C(C#N)C#N)C=C1</moldb-smiles> <moldb-formula>C36H40N6O4</moldb-formula> <moldb-inchi>InChI=1/C36H40N6O4/c1-5-41(33-13-11-31(27(3)19-33)21-29(23-37)24-38)15-17-45-35(43)9-7-8-10-36(44)46-18-16-42(6-2)34-14-12-32(28(4)20-34)22-30(25-39)26-40/h11-14,19-22H,5-10,15-18H2,1-4H3</moldb-inchi> <moldb-inchikey>PDOOQWTZCPNMLF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">620.754</moldb-average-mass> <moldb-mono-mass type="decimal">620.3111038</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM083078</chemdb-id> <dsstox-id>DTXSID00891157</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00047697</susdat-id> <iupac nil="true"/> <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>Toluenes</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0139972</sync-id> <structure-inchikey>SNQGOOIWXLIOLV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000000008000000000000000100000000800000000000000000000020000020000000000000000000000000000000001000000000800000000000000000000000000000000000000000000200000241003000008000000000000000002001104000000000000001040000000000008000000c000002000000000002000004000040000c00000000000000000000000000000000080004000100000000000000000000000000008a901000000000040000000000000000000000000000008000000000000000000000000080001000000002002002200000000000000000000000000000040000000010400800001000000000000000000000000</structure-fingerprint> 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