Cas no 147900-77-4 (1-Piperazinecarboxaldehyde,4-methyl-2,5-dioxo-)

1-Piperazinecarboxaldehyde,4-methyl-2,5-dioxo- structure
147900-77-4 structure
Product Name:1-Piperazinecarboxaldehyde,4-methyl-2,5-dioxo-
CAS No:147900-77-4
MF:C6H8N2O3
MW:156.139321327209
CID:100636
PubChem ID:45083908
Update Time:2025-04-18

1-Piperazinecarboxaldehyde,4-methyl-2,5-dioxo- Chemical and Physical Properties

Names and Identifiers

    • 1-Piperazinecarboxaldehyde,4-methyl-2,5-dioxo-
    • 4-METHYL-2,5-DIOXOPIPERAZINE-1-CARBALDEHYDE
    • 1-Piperazinecarboxaldehyde, 4-methyl-2,5-dioxo- (9CI)
    • DTXSID00665512
    • 147900-77-4
    • Inchi: 1S/C6H8N2O3/c1-7-2-6(11)8(4-9)3-5(7)10/h4H,2-3H2,1H3
    • InChI Key: BQZLZDGUEQGSBY-UHFFFAOYSA-N
    • SMILES: O=C1CN(C=O)C(CN1C)=O

Computed Properties

  • Exact Mass: 156.05354
  • Monoisotopic Mass: 156.053
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 214
  • 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
  • Topological Polar Surface Area: 57.7A^2
  • XLogP3: -1.1

Experimental Properties

  • PSA: 57.69
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