73569 <common-name>Benzonitrile, 4-[[(4-propylphenyl)methylene]amino]-</common-name> <description>Benzonitrile, 4-[[(4-propylphenyl)methylene]amino]- belongs to the phenylpropanes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C17H16N2 and an average molecular weight of 248.33 g/mol.</description> <cas>38690-79-8</cas> <pubchem-id>170100</pubchem-id> <chemical-formula>C17H16N2</chemical-formula> <weight>248.32</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">2026-04-04T00:01:42Z</created-at> <updated-at type="dateTime">2026-08-29T00:06:58Z</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>CCCC1=CC=C(C=NC2=CC=C(C=C2)C#N)C=C1</moldb-smiles> <moldb-formula>C17H16N2</moldb-formula> <moldb-inchi>InChI=1S/C17H16N2/c1-2-3-14-4-6-16(7-5-14)13-19-17-10-8-15(12-18)9-11-17/h4-11,13H,2-3H2,1H3/b19-13+</moldb-inchi> <moldb-inchikey>WNPUCDQWHSMXIN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">248.329</moldb-average-mass> <moldb-mono-mass type="decimal">248.131349</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>148741</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>CHEM069462</chemdb-id> <dsstox-id>DTXSID7068132</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00030443</susdat-id> <iupac>4-[(4-propylphenyl)methylideneamino]benzonitrile</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>Phenylpropanes</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0117169</sync-id> <structure-inchikey>WNPUCDQWHSMXIN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40200000000000800002000000000000000000000000200000000000000002000002004200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020000200000004000000000000010220000000000000000080008000000000000000000800000000001000000000040040000000000000000000800000000000000000000000001000000000000000000000000000000000088000000000000000000000000000000000000000000000000000000000000000000000200000000000000200000220000000000000000000000002000040000000000000000000200000000000000000004000</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�� h�B������������ �� � ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:22:16Z</structure-indexed-at> </compound>