Cas no 5176-82-9 (1,3-Dimethylparabanic Acid)

1,3-Dimethylparabanic Acid is a derivative of parabanic acid, characterized by the substitution of two methyl groups at the 1 and 3 positions of the heterocyclic ring. This compound is primarily utilized in organic synthesis and pharmaceutical research due to its role as a versatile intermediate. Its stable cyclic structure and functional groups make it suitable for further chemical modifications, including the synthesis of heterocyclic compounds and active pharmaceutical ingredients. The methyl groups enhance its solubility in organic solvents, facilitating reactions under mild conditions. Additionally, its well-defined crystalline form ensures consistent purity, making it a reliable reagent for precision applications in research and industrial processes.
1,3-Dimethylparabanic Acid structure
1,3-Dimethylparabanic Acid structure
Product Name:1,3-Dimethylparabanic Acid
CAS No:5176-82-9
MF:C5H6N2O3
MW:142.1127409935
CID:370164
PubChem ID:123226
Update Time:2025-06-07

1,3-Dimethylparabanic Acid Chemical and Physical Properties

Names and Identifiers

    • 2,4,5-Imidazolidinetrione,1,3-dimethyl-
    • 1,3-Dimethylparabanic acid
    • N,N'-dimethylparabanic acid
    • Dimethylparabanic acid
    • Imidazolidinetrione, dimethyl-
    • N,N'-Dimethylimidazoline-trione
    • DTXSID70966068
    • 1,3-dimethylimidazolidinetrione
    • EN300-1718702
    • Dimethylparabansaure
    • 1,3-dimethylimidazolidine-2,4,5-trione
    • 0HX0078PZH
    • 2,4,5-IMIDAZOLIDINETRIONE, 1,3-DIMETHYL-
    • NS00040748
    • 5176-82-9
    • UNII-0HX0078PZH
    • 1,3-Dimethyl-2,4,5-imidazolidinetrione #
    • DIMETHYLIMIDAZOLIDINE-2,4,5-TRIONE
    • Z54462676
    • Q27236792
    • N,N'-Dmpa
    • UJYBVDOLXHCNOL-UHFFFAOYSA-N
    • 1,3-Dimethyl-2,4,5-trioxoimidazolidine
    • SCHEMBL133474
    • PARABANIC ACID, 1,3-DIMETHYL-
    • 1,3-Dimethylparabanic Acid
    • Inchi: 1S/C5H6N2O3/c1-6-3(8)4(9)7(2)5(6)10/h1-2H3
    • InChI Key: UJYBVDOLXHCNOL-UHFFFAOYSA-N
    • SMILES: O=C1N(C)C(C(N1C)=O)=O

Computed Properties

  • Exact Mass: 142.03788
  • Monoisotopic Mass: 142.037842
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • 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
  • Topological Polar Surface Area: 57.7
  • XLogP3: -0.5

Experimental Properties

  • Density: 1.416
  • Boiling Point: 276°Cat760mmHg
  • Flash Point: 133.6°C
  • Refractive Index: 1.525
  • PSA: 57.69

1,3-Dimethylparabanic Acid Pricemore >>

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