Cas no 16350-84-8 (2,5-Piperazinedione,1-(2-methylpropyl)-)

2,5-Piperazinedione,1-(2-methylpropyl)- structure
16350-84-8 structure
Product Name:2,5-Piperazinedione,1-(2-methylpropyl)-
CAS No:16350-84-8
MF:C8H14N2O2
MW:170.208961963654
CID:121597
PubChem ID:45099569
Update Time:2025-04-18

2,5-Piperazinedione,1-(2-methylpropyl)- Chemical and Physical Properties

Names and Identifiers

    • 2,5-Piperazinedione,1-(2-methylpropyl)-
    • 1-(2-methylpropyl)piperazine-2,5-dione
    • 1-BUTYLPIPERAZINE-2,5-DIONE
    • 2,5-Piperazinedione,1-isobutyl-(8CI)
    • 1-Isobutyl-2.5-dioxo-piperazin
    • 1-isobutyl-piperazine-2,5-dione
    • AG-E-13368
    • CTK4D1562
    • SureCN5245588
    • AKOS014201964
    • DTXSID30667968
    • 16350-84-8
    • SCHEMBL5245588
    • Inchi: 1S/C8H14N2O2/c1-6(2)4-10-5-7(11)9-3-8(10)12/h6H,3-5H2,1-2H3,(H,9,11)
    • InChI Key: BDRSQSMUIOLHSV-UHFFFAOYSA-N
    • SMILES: O=C1CNC(CN1CC(C)C)=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: 2
  • Complexity: 201
  • 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: 0.2
  • Topological Polar Surface Area: 49.4?2

Experimental Properties

  • PSA: 49.41
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