Cas no 27108-52-7 (isopropyl hydroxycarbamate)

Isopropyl hydroxycarbamate is a chemical compound with applications in organic synthesis and industrial processes. Its structure combines a carbamate functional group with an isopropyl moiety, offering reactivity useful in cross-coupling reactions and as an intermediate in pharmaceutical or agrochemical production. The compound's stability under controlled conditions and solubility in common organic solvents enhance its utility in laboratory and manufacturing settings. Its hydroxycarbamate group may also contribute to chelating properties, making it potentially valuable in metal coordination or catalysis. Handling requires standard precautions for carbamate derivatives, including proper ventilation and protective equipment to mitigate potential irritant effects.
isopropyl hydroxycarbamate structure
isopropyl hydroxycarbamate structure
Product Name:isopropyl hydroxycarbamate
CAS No:27108-52-7
MF:C4H9NO3
MW:119.119161367416
CID:5155633
PubChem ID:12724928
Update Time:2025-10-18

isopropyl hydroxycarbamate Chemical and Physical Properties

Names and Identifiers

    • isopropyl hydroxycarbamate
    • Carbamic acid, hydroxy-, 1-methylethyl ester (9CI)
    • Inchi: 1S/C4H9NO3/c1-3(2)8-4(6)5-7/h3,7H,1-2H3,(H,5,6)
    • InChI Key: AQDGKHKJECDYJT-UHFFFAOYSA-N
    • SMILES: C(OC(C)C)(=O)NO

Computed Properties

  • Exact Mass: 119.058243149g/mol
  • Monoisotopic Mass: 119.058243149g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 2
  • Complexity: 81.4
  • 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: 0.3
  • Topological Polar Surface Area: 58.6?2

isopropyl hydroxycarbamate Pricemore >>

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