81243 <common-name>Bis(tert-butyl) 1,4-dihydro-2,6-dimethyl-4-propylpyridine-3,5-dicarboxylate</common-name> <description>Bis(tert-butyl) 1,4-dihydro-2,6-dimethyl-4-propylpyridine-3,5-dicarboxylate belongs to the hydropyridines, a subclass of pyridines and derivatives within the organic compounds. It is an organoheterocyclic compound with the formula C20H33N1O4 and an average molecular weight of 351.49 g/mol.</description> <cas>94266-07-6</cas> <pubchem-id>216403</pubchem-id> <chemical-formula>C20H33N1O4</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">2026-04-04T17:36:39Z</created-at> <updated-at type="dateTime">2026-04-04T17:36:39Z</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>CCCC1C(C(=O)OC(C)(C)C)=C(C)NC(C)=C1C(=O)OC(C)(C)C</moldb-smiles> <moldb-formula>C20H33N1O4</moldb-formula> <moldb-inchi>InChI=1S/C20H33NO4/c1-10-11-14-15(17(22)24-19(4,5)6)12(2)21-13(3)16(14)18(23)25-20(7,8)9/h14,21H,10-11H2,1-9H3</moldb-inchi> <moldb-inchikey>XGZQMGKQSIMQSW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">351.487</moldb-average-mass> <moldb-mono-mass type="decimal">351.240959</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>187578</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>CHEM077136</chemdb-id> <dsstox-id>DTXSID80241318</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00040351</susdat-id> <iupac>ditert-butyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate</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>Pyridines and derivatives</klass> <subklass>Hydropyridines</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0114379</sync-id> <structure-inchikey>XGZQMGKQSIMQSW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000002000000040000000000000000000010000000000000002240000000000000000000000800000000008000000100000000000000000000000000000000000000000000020000000000100000000000000000000000020010000008000000000000000000000000000000000000000000000100000000048000000000000200080000000000000000000000000000000000000000000000200000000000000080100000000000000000080000000000800000000000000020000000000000000001000000000000000002000000000000000000000000000000000100000000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������(�������(�������(�������(������� ������`�������`�������`�������(�������`�������h��������(�������`�������(�������(�������(�������(������� ������`�������`�������`�������������������� ��(��� ���� �� ������(�� ��� �� �����(��� ��(��� ���������������B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:27:56Z</structure-indexed-at> </compound>