3-Methylxanthine structural formula

CAS Number1076-22-8
Molecular FormulaC6H6N4O2
Molecular Weight166.140
  • 3-Methylxanthine
  • 3-Methyl-3,7-dihydro-1H-purine-2,6-dione
  • 1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-
  • 1076-22-8
  • EINECS 214-058-1
  • NSC 515466
  • 1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-
  • 2-oxo-3-methylhypoxanthine
  • 3 MX
  • 3,9-dihydro-3-methyl-1H-purine-2,6-dione
  • 3-methyl-3,7(9)-dihydro-purine-2,6-dione
  • 3-methyl-3,9-dihydro-2H,6H-purine-2,6-dione
  • 3-methyl-9H-xanthine
  • 2,6-Dihydroxy-3-methylpurine
  • 3,7-dihydro-3-methyl-1H-purine-2,6-dione
  • 3-Methyl Xanthine
  • 3-Methyl-3,9-dihydro-purine-2,6-dione
  • 3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
  • 3-methyl-3,7(9)-dihydro-purine-2,6-dione
  • N(1)-demethyltheophylline
  • Purine analog
  • 3-methyl-7H-xanthine


HPLC Separation of Caffeine, 3- Methylxanthine, 1- Methylxanthine, Xanthine

HPLC Separation of Caffeine, 3- Methylxanthine, 1- Methylxanthine, Xanthine Application Notes: Xanthines are polar neutral compounds which are hard to retain and separate by traditional reversed-phase chromatography. However a hydrogen bonding method makes separation possible due to an observable correlation between the number of hydrogens available for interaction and retention time. Molecules with no hydrogens available for interactions retain less, and compound with multiple hydrogen donors retain the most. Retention time can be controlled by changing ratio of ACN:MeOH. Other protic and aprotic solvents can be used to control retention time and selectivity of separation. Application Columns: SHARC 1, 3.2x100 mm, 5 um, 100A, To learn more about SHARC 1 columns click here. To order this column click here. To see more chromatographic separations check our web site. Application Compounds:  Caffeine, 3-methylxanthine, 1-methylxanthine, and xanthine


Column Sharc 1, 3.2x100 mm, 5 µm, 100A
Mobile Phase MeCN/MeOH
Buffer AmFm, Formic acid
Flow Rate 1.0 ml/min
Detection UV, 270 nm


Class of Compounds Drug, Acid, Hydrophilic, Ionizable, Vitamin, Supplements
Analyzing Compounds Caffeine, 3- Methylxanthine, 1- Methylxanthine, Xanthine
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Application Analytes: