Cas no 97010-18-9 (L-Proline, hexadecylester)

L-Proline, hexadecylester structure
L-Proline, hexadecylester structure
Product Name:L-Proline, hexadecylester
CAS No:97010-18-9
MF:C21H41NO2
MW:339.555746793747
CID:808156
Update Time:2025-04-19

L-Proline, hexadecylester Chemical and Physical Properties

Names and Identifiers

    • hexadecyl (2S)-pyrrolidine-2-carboxylate
    • L-Proline, hexadecylester
    • proline cetyl ester
    • Inchi: 1S/C21H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-21(23)20-17-16-18-22-20/h20,22H,2-19H2,1H3/t20-/m0/s1
    • InChI Key: KHGGYADXQRSMEP-FQEVSTJZSA-N
    • SMILES: O(CCCCCCCCCCCCCCCC)C([C@@H]1CCCN1)=O

Computed Properties

  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 17
  • Complexity: 294
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 8

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