Cas no 285133-32-6 (5(4H)-Oxazolone, 2-(aminomethyl)-)

5(4H)-Oxazolone, 2-(aminomethyl)- structure
285133-32-6 structure
Product Name:5(4H)-Oxazolone, 2-(aminomethyl)-
CAS No:285133-32-6
MF:C4H6N2O2
MW:114.102640628815
CID:1435269
Update Time:2024-08-15

5(4H)-Oxazolone, 2-(aminomethyl)- Chemical and Physical Properties

Names and Identifiers

    • 5(4H)-Oxazolone, 2-(aminomethyl)-
    • Inchi： 1S/C4H6N2O2/c5-1-3-6-2-4(7)8-3/h1-2,5H2
    • InChI Key： JBNKSOMSSPCXFY-UHFFFAOYSA-N
    • SMILES： O1C(=O)CN=C1CN

Computed Properties

  • Exact Mass: 114.04298
  • Monoisotopic Mass: 114.043
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 141
  • 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

Experimental Properties

  • Density: 1.55±0.1 g/cm3(Predicted)
  • Boiling Point: 183.7±42.0 °C(Predicted)
  • PSA: 64.68
  • pka: 7.98±0.29(Predicted)

5(4H)-Oxazolone, 2-(aminomethyl)- Related Literature

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