Cas no 144883-74-9 (3,5-Pyridinedicarboxylicacid, 4-dodecyl-1,4-dihydro-2,6-dimethyl-, 3,5-diethyl ester)

3,5-Pyridinedicarboxylicacid, 4-dodecyl-1,4-dihydro-2,6-dimethyl-, 3,5-diethyl ester structure
144883-74-9 structure
Product Name:3,5-Pyridinedicarboxylicacid, 4-dodecyl-1,4-dihydro-2,6-dimethyl-, 3,5-diethyl ester
CAS No:144883-74-9
MF:C25H43NO4
MW:421.613228082657
CID:192069
PubChem ID:126847
Update Time:2025-04-19

3,5-Pyridinedicarboxylicacid, 4-dodecyl-1,4-dihydro-2,6-dimethyl-, 3,5-diethyl ester Chemical and Physical Properties

Names and Identifiers

    • 3,5-Pyridinedicarboxylicacid, 4-dodecyl-1,4-dihydro-2,6-dimethyl-, 3,5-diethyl ester
    • diethyl 4-dodecyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
    • 3,5-Pyridinedicarboxylic acid, 4-dodecyl-1,4-dihydro-2,6-dimethyl, diethyl ester
    • 4-Dodecyl-3,5-diethoxycarbonyl-1,4-dihydro-2,6-dimethylpyridine
    • 4-Dodecyl-ddc
    • 144883-74-9
    • DTXSID60162830
    • Inchi: 1S/C25H43NO4/c1-6-9-10-11-12-13-14-15-16-17-18-21-22(24(27)29-7-2)19(4)26-20(5)23(21)25(28)30-8-3/h21,26H,6-18H2,1-5H3
    • InChI Key: QZOZGQPSGHHVSP-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1=C(C)NC(C)=C(C(=O)OCC)C1CCCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 421.31939
  • Monoisotopic Mass: 421.319
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 17
  • Complexity: 566
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 8.1
  • Topological Polar Surface Area: 64.6?2

Experimental Properties

  • Density: 0.976
  • Boiling Point: 507.5°Cat760mmHg
  • Flash Point: 260.7°C
  • Refractive Index: 1.476
  • PSA: 64.63
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