308179 <common-name>5-[[4-(diethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione</common-name> <description>5-[[4-(diethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. It has the chemical formula C17H21NO4 and an average molecular weight of 303.35 g/mol. This substance is further classified as an organic nitrogen compound.</description> <cas>68871-12-5</cas> <pubchem-id>832422</pubchem-id> <chemical-formula>C17H21NO4</chemical-formula> <weight>303.35</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">2026-08-29T02:32:38Z</created-at> <updated-at type="dateTime">2026-08-29T02:32:38Z</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)C1=CC=C(C=C1)C=C2C(=O)OC(OC2=O)(C)C</moldb-smiles> <moldb-formula>C17H21NO4</moldb-formula> <moldb-inchi>InChI=1S/C17H21NO4/c1-5-18(6-2)13-9-7-12(8-10-13)11-14-15(19)21-17(3,4)22-16(14)20/h7-11H,5-6H2,1-4H3</moldb-inchi> <moldb-inchikey>MWDVDNKGIMGHOR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">303.1470582</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.6</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>CHEM304072</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>5-[[4-(diethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione</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>Organic nitrogen compounds</superklass> <klass>Organonitrogen compounds</klass> <subklass>Amines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0259207</sync-id> <structure-inchikey>MWDVDNKGIMGHOR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>60000000000000800000000000000000000000080000000000000000000000004002000020000000000000000000000000000000000000000000000000000000000000000000000000000000000020800000000200000000000000000000000000000000000800000000004000000000000800000080000000000000000000000048000400828000008000000000000000000000000000000000000020200000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000001000000000000000200000400000000000000000000000040000110000000000000000000000000000000004001</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��� B������ ���� ���������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:16:08Z</structure-indexed-at> </compound>