Cas no 2228668-49-1 (Tert-butyl 4-(2-oxoethyl)-1h-imidazole-1-carboxylate)

Tert-butyl 4-(2-oxoethyl)-1h-imidazole-1-carboxylate structure
2228668-49-1 structure
Product Name:Tert-butyl 4-(2-oxoethyl)-1h-imidazole-1-carboxylate
CAS No:2228668-49-1
MF:C10H14N2O3
MW:210.229762554169
CID:5769733
PubChem ID:164663977
Update Time:2023-12-26

Tert-butyl 4-(2-oxoethyl)-1h-imidazole-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • EN300-1896471
    • tert-butyl 4-(2-oxoethyl)-1h-imidazole-1-carboxylate
    • 2228668-49-1
    • 1H-Imidazole-1-carboxylic acid, 4-(2-oxoethyl)-, 1,1-dimethylethyl ester
    • Tert-butyl 4-(2-oxoethyl)-1h-imidazole-1-carboxylate
    • Inchi: 1S/C10H14N2O3/c1-10(2,3)15-9(14)12-6-8(4-5-13)11-7-12/h5-7H,4H2,1-3H3
    • InChI Key: MXALOVPXMNGQED-UHFFFAOYSA-N
    • SMILES: O(C(N1C=NC(CC=O)=C1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 210.10044231g/mol
  • Monoisotopic Mass: 210.10044231g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 248
  • 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: 0.7
  • Topological Polar Surface Area: 61.2?2

Experimental Properties

  • Density: 1.14±0.1 g/cm3(Predicted)
  • Boiling Point: 337.7±34.0 °C(Predicted)
  • pka: 3.20±0.61(Predicted)

Tert-butyl 4-(2-oxoethyl)-1h-imidazole-1-carboxylate Pricemore >>

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