Cas no 33598-33-3 (4-(pyrrolidin-1-yl)butan-2-one)

4-(pyrrolidin-1-yl)butan-2-one structure
33598-33-3 structure
Product Name:4-(pyrrolidin-1-yl)butan-2-one
CAS No:33598-33-3
MF:C8H15NO
MW:141.210802316666
CID:1111086
PubChem ID:16038894
Update Time:2025-04-20

4-(pyrrolidin-1-yl)butan-2-one Chemical and Physical Properties

Names and Identifiers

    • 4-(1-pyrrolidinyl)-2-Butanone
    • 4-(pyrrolidin-1-yl)butan-2-one
    • SCHEMBL11880993
    • AKOS000141647
    • 33598-33-3
    • EN300-1264058
    • Inchi: 1S/C8H15NO/c1-8(10)4-7-9-5-2-3-6-9/h2-7H2,1H3
    • InChI Key: FRLFTLFSCYPTEO-UHFFFAOYSA-N
    • SMILES: O=C(C)CCN1CCCC1

Computed Properties

  • Exact Mass: 141.11545
  • Monoisotopic Mass: 141.115364102g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 116
  • 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: 0.4
  • Topological Polar Surface Area: 20.3?2

Experimental Properties

  • PSA: 20.31

4-(pyrrolidin-1-yl)butan-2-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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