Cas no 102886-04-4 (Pyrrolidine, 1-octadecyl-)

Pyrrolidine, 1-octadecyl- structure
Pyrrolidine, 1-octadecyl- structure
Product Name:Pyrrolidine, 1-octadecyl-
CAS No:102886-04-4
MF:C22H45N
MW:323.599406957626
CID:1133416
PubChem ID:10403938
Update Time:2025-04-20

Pyrrolidine, 1-octadecyl- Chemical and Physical Properties

Names and Identifiers

    • Pyrrolidine, 1-octadecyl-
    • 1-octadecylpyrrolidine
    • DTXSID70439404
    • GOILVCXZFJJOGX-UHFFFAOYSA-N
    • SCHEMBL1262383
    • 102886-04-4
    • Inchi: 1S/C22H45N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-23/h2-22H2,1H3
    • InChI Key: GOILVCXZFJJOGX-UHFFFAOYSA-N
    • SMILES: N1(CCCCCCCCCCCCCCCCCC)CCCC1

Computed Properties

  • Exact Mass: 323.35545
  • Monoisotopic Mass: 323.355200440g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 17
  • Complexity: 220
  • 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: 9.6
  • Topological Polar Surface Area: 3.2?2

Experimental Properties

  • PSA: 3.24
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