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3-Isobutyl-1-methylxanthine

  • CAS No:28822-58-4 1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
    Molecular Structure

    Other Information

  • CAS Registry Number: 28822-58-4
  • Melting Point: 200-201 ºC
  • Flash Point: 223.3ºC
  • Boiling Point: 445.6 ºC at 760 mmHg
  • Density: 1.278 g/cm3
  • Refractive index: 1.569
  • Water Solubility: DMSO: 1 M with gentle warming
  • Safety Statements: R22
  • Hazard Symbols: Xn: Harmful;
  • Flash Point: 223.3ºC
  • EINECS: 249-259-3
  • Molecular Weight: 222.24376
  • InchiKey: APIXJSLKIYYUKG-UHFFFAOYSA-N
  • InChI: InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,
    4H2,1-3H3,(H,11,12)
  • Risk Statements: R22
  • Molecular Formula: C10H14N4O2