Cas no 90978-66-8 (octahydro-2H-quinolizine-1-carboxylic acid)

octahydro-2H-quinolizine-1-carboxylic acid structure
90978-66-8 structure
Product Name:octahydro-2H-quinolizine-1-carboxylic acid
CAS No:90978-66-8
MF:C10H17NO2
MW:183.24748301506
CID:1956857
PubChem ID:558135
Update Time:2025-04-21

octahydro-2H-quinolizine-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • octahydro-2H-quinolizine-1-carboxylic acid
    • 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid
    • SB45177
    • Lupininic acid
    • SCHEMBL4037708
    • DTXSID70339733
    • octahydro-quinolizine-1-carboxylic acid
    • 90978-66-8
    • ALBB-030781
    • AKOS015938849
    • DTXCID10290814
    • starbld0001196
    • Inchi: 1S/C10H17NO2/c12-10(13)8-4-3-7-11-6-2-1-5-9(8)11/h8-9H,1-7H2,(H,12,13)
    • InChI Key: ZYQJGZAVMHNFNY-UHFFFAOYSA-N
    • SMILES: OC(C1CCCN2CCCCC21)=O

Computed Properties

  • Exact Mass: 183.125928785g/mol
  • Monoisotopic Mass: 183.125928785g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 205
  • 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: -1.1
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • Density: 1.15
  • Boiling Point: 316.7°C at 760 mmHg
  • Flash Point: 145.3°C
  • Refractive Index: 1.538
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