Cas no 161327-44-2 (4,8-diethoxyquinoline)

4,8-diethoxyquinoline structure
4,8-diethoxyquinoline structure
Product Name:4,8-diethoxyquinoline
CAS No:161327-44-2
MF:C13H15NO2
MW:217.263703584671
CID:1057614
PubChem ID:45094473
Update Time:2025-04-20

4,8-diethoxyquinoline Chemical and Physical Properties

Names and Identifiers

    • 4,8-diethoxyquinoline
    • Quinoline, 4,8-diethoxy- (9CI)
    • 161327-44-2
    • Inchi: 1S/C13H15NO2/c1-3-15-11-8-9-14-13-10(11)6-5-7-12(13)16-4-2/h5-9H,3-4H2,1-2H3
    • InChI Key: GUAQWSCWQLVSIU-UHFFFAOYSA-N
    • SMILES: O(CC)C1C=CN=C2C(=CC=CC2=1)OCC

Computed Properties

  • Exact Mass: 217.11035
  • Monoisotopic Mass: 217.11
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 210
  • 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: 2.8
  • Topological Polar Surface Area: 31.4A^2

Experimental Properties

  • PSA: 31.35
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