Cas no 474766-31-9 (2,5-Pyrrolidinedione,3-(butylamino)-(9CI))

2,5-Pyrrolidinedione,3-(butylamino)-(9CI) structure
474766-31-9 structure
Product Name:2,5-Pyrrolidinedione,3-(butylamino)-(9CI)
CAS No:474766-31-9
MF:C8H14N2O2
MW:170.208961963654
CID:1018490
PubChem ID:12550562
Update Time:2025-04-20

2,5-Pyrrolidinedione,3-(butylamino)-(9CI) Chemical and Physical Properties

Names and Identifiers

    • 2,5-Pyrrolidinedione,3-(butylamino)-(9CI)
    • 3-(Butylamino)-2,5-pyrrolidinedione
    • AKOS017269087
    • DB-280975
    • 474766-31-9
    • 3-(butylamino)pyrrolidine-2,5-dione
    • 2,5-PYRROLIDINEDIONE, 3-(BUTYLAMINO)-
    • SCHEMBL5452644
    • Inchi: 1S/C8H14N2O2/c1-2-3-4-9-6-5-7(11)10-8(6)12/h6,9H,2-5H2,1H3,(H,10,11,12)
    • InChI Key: CQIGEPJPFLQAEV-UHFFFAOYSA-N
    • SMILES: O=C1C(CC(N1)=O)NCCCC

Computed Properties

  • Exact Mass: 170.105527694g/mol
  • Monoisotopic Mass: 170.105527694g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 192
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.1
  • Topological Polar Surface Area: 58.2?2
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