Cas no 58505-91-2 (3-Pyrrolidinecarboxylicacid, 1-octyl-5-oxo-)

3-Pyrrolidinecarboxylicacid, 1-octyl-5-oxo- structure
58505-91-2 structure
Product Name:3-Pyrrolidinecarboxylicacid, 1-octyl-5-oxo-
CAS No:58505-91-2
MF:C13H23NO3
MW:241.326624155045
CID:373977
PubChem ID:94089
Update Time:2025-04-19

3-Pyrrolidinecarboxylicacid, 1-octyl-5-oxo- Chemical and Physical Properties

Names and Identifiers

    • 3-Pyrrolidinecarboxylicacid, 1-octyl-5-oxo-
    • 1-Octyl-5-oxopyrrolidine-3-carboxylic acid
    • N-octyl-5-oxopyrrolidine-3-carboxylic acid
    • DTXSID70974062
    • 58505-91-2
    • NS00052790
    • AKOS017548309
    • EINECS 261-300-7
    • KTVSYQGGEIIOPJ-UHFFFAOYSA-N
    • SCHEMBL2890516
    • Inchi: 1S/C13H23NO3/c1-2-3-4-5-6-7-8-14-10-11(13(16)17)9-12(14)15/h11H,2-10H2,1H3,(H,16,17)
    • InChI Key: KTVSYQGGEIIOPJ-UHFFFAOYSA-N
    • SMILES: O=C1CC(C(=O)O)CN1CCCCCCCC

Computed Properties

  • Exact Mass: 241.16789
  • Monoisotopic Mass: 241.168
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 8
  • Complexity: 265
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 57.6?2

Experimental Properties

  • Density: 1.071
  • Boiling Point: 416.9°Cat760mmHg
  • Flash Point: 205.9°C
  • Refractive Index: 1.492
  • PSA: 57.61
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