7-Methyl-1-(²H₃)Methyl-3,7-Dihydro-1H-Purine-2,6-Dione
[CAS# 188297-90-7]

Identification

• Name: 7-Methyl-1-(²H₃)Methyl-3,7-Dihydro-1H-Purine-2,6-Dione
• Synonyms: Paraxanthine-1-methyl-d3
• Molecular Formula: C₇H₅D₃N₄O₂
• Molecular Weight: 183.18
• CAS Registry Number: 188297-90-7
• SMILES: [2H]C([2H])([2H])n1c(=O)c2c([nH]c1=O)ncn2C
• InChI: 1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)/i2D3
• InChIKey: QUNWUDVFRNGTCO-BMSJAHLVSA-N

Properties

• Density: 1.635g/cm³ (Cal.)
• Refractive index: 1.737 (Cal.)