Cas no 22766-29-6 (2H-Quinolizine-3-carboxylicacid, octahydro-4-oxo-, ethyl ester)

2H-Quinolizine-3-carboxylicacid, octahydro-4-oxo-, ethyl ester structure
22766-29-6 structure
Product Name:2H-Quinolizine-3-carboxylicacid, octahydro-4-oxo-, ethyl ester
CAS No:22766-29-6
MF:C12H19NO3
MW:225.284163713455
CID:286129
PubChem ID:231312
Update Time:2025-04-19

2H-Quinolizine-3-carboxylicacid, octahydro-4-oxo-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 2H-Quinolizine-3-carboxylicacid, octahydro-4-oxo-, ethyl ester
    • ethyl 4-oxo-1,2,3,6,7,8,9,9a-octahydroquinolizine-3-carboxylate
    • 3-Ethoxycarbonyl-chinolizidin-4-on
    • 4-Oxo-3-chinolizidin-carbonsaeure-ethylester
    • 4-Oxo-octahydro-chinolizin-3-carbonsaeure-aethylester
    • 4-oxo-octahydro-quinolizin-3-carboxylic acid ethyl ester
    • AC1L5LF4
    • AC1Q6FXN
    • AG-J-30850
    • AR-1I9314
    • CTK4F0128
    • ethyl 4-oxooctahydro-2h-quinolizine-3-carboxylate
    • Ethyl-4-oxo-octahydrochinolizin-3-carboxylat
    • NSC27291
    • DTXSID80282680
    • NSC-27291
    • 22766-29-6
    • Inchi: 1S/C12H19NO3/c1-2-16-12(15)10-7-6-9-5-3-4-8-13(9)11(10)14/h9-10H,2-8H2,1H3
    • InChI Key: LVUMZRALTVHCSE-UHFFFAOYSA-N
    • SMILES: O=C1C(C(=O)OCC)CCC2CCCCN21

Computed Properties

  • Exact Mass: 225.13657
  • Monoisotopic Mass: 225.136
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 290
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 46.6?2

Experimental Properties

  • Density: 1.14
  • Boiling Point: 350°C at 760 mmHg
  • Flash Point: 165.5°C
  • Refractive Index: 1.512
  • PSA: 46.61
  • LogP: 1.27850
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