Cas no 16350-85-9 (2,5-Piperazinedione,1-butyl-)

2,5-Piperazinedione,1-butyl- structure
2,5-Piperazinedione,1-butyl- structure
Product Name:2,5-Piperazinedione,1-butyl-
CAS No:16350-85-9
MF:C8H14N2O2
MW:170.208961963654
CID:121598
PubChem ID:19958097
Update Time:2025-04-18

2,5-Piperazinedione,1-butyl- Chemical and Physical Properties

Names and Identifiers

    • 2,5-Piperazinedione,1-butyl-
    • 1-BUTYLPIPERAZINE-2,5-DIONE
    • 1,4-DIACETYLPIPERAZINE
    • 2,5-Piperazinedione,1-butyl-(8CI,9CI)
    • 16350-85-9
    • DTXSID70601462
    • SCHEMBL8826881
    • AKOS014203154
    • Inchi: 1S/C8H14N2O2/c1-2-3-4-10-6-7(11)9-5-8(10)12/h2-6H2,1H3,(H,9,11)
    • InChI Key: GHXVGVFQOFBEOP-UHFFFAOYSA-N
    • SMILES: O=C1CNC(CN1CCCC)=O

Computed Properties

  • Exact Mass: 170.10562
  • Monoisotopic Mass: 170.105527694g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 192
  • 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: 0.1
  • Topological Polar Surface Area: 49.4?2

Experimental Properties

  • PSA: 49.41
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