Cas no 146681-13-2 (1,4-Diazabicyclo[2.2.1]heptane-2,7-dione(9CI))

1,4-Diazabicyclo[2.2.1]heptane-2,7-dione(9CI) structure
146681-13-2 structure
Product Name:1,4-Diazabicyclo[2.2.1]heptane-2,7-dione(9CI)
CAS No:146681-13-2
MF:C5H6N2O2
MW:126.113340854645
CID:101076
PubChem ID:15111750
Update Time:2025-04-18

1,4-Diazabicyclo[2.2.1]heptane-2,7-dione(9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,4-Diazabicyclo[2.2.1]heptane-2,7-dione(9CI)
    • 1,4-Diazabicyclo[2.2.1]heptane-2,7-dione
    • 1,4-diazabicyclo[2.2.1]heptane-3,7-dione
    • DTXSID70568384
    • 146681-13-2
    • Inchi： 1S/C5H6N2O2/c8-4-3-6-1-2-7(4)5(6)9/h1-3H2
    • InChI Key： KMQDMSXORRNSAX-UHFFFAOYSA-N
    • SMILES： O=C1N2C(CN1CC2)=O

Computed Properties

  • Exact Mass: 126.04298
  • Monoisotopic Mass: 126.042927438g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 189
  • 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: -0.9
  • Topological Polar Surface Area: 40.6?2

Experimental Properties

  • PSA: 40.62

1,4-Diazabicyclo[2.2.1]heptane-2,7-dione(9CI) Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Acetone
Reference
Synthesis of heterocyclic urea derivatives
Baisalbaeva, S. A.; et al, Izvestiya Akademii Nauk Kazakhskoi SSR, 1991, (6), 61-3

1,4-Diazabicyclo[2.2.1]heptane-2,7-dione(9CI) Raw materials

1,4-Diazabicyclo[2.2.1]heptane-2,7-dione(9CI) Preparation Products

1,4-Diazabicyclo[2.2.1]heptane-2,7-dione(9CI) Related Literature

146681-13-2 (1,4-Diazabicyclo[2.2.1]heptane-2,7-dione(9CI)) Related Products

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