3,7-Dimethyl-1-(2-Methoxyethyl)-1H-Purine-2,6(3H,7H)-Dione
[CAS# 63906-61-6]

Identification

• Name: 3,7-Dimethyl-1-(2-Methoxyethyl)-1H-Purine-2,6(3H,7H)-Dione
• Synonyms: 1-(2-Methoxyethyl)-3,7-Dimethyl-Purine-2,6-Dione; 1-(2-Methoxyethyl)-3,7-Dimethyl-Xanthine; 1-(Methoxyethyl) Theobromine
• Molecular Formula: C₁₀H₁₄N₄O₃
• Molecular Weight: 238.25
• CAS Registry Number: 63906-61-6
• SMILES: C1=NC2=C([N]1C)C(N(C(N2C)=O)CCOC)=O
• InChI: 1S/C10H14N4O3/c1-12-6-11-8-7(12)9(15)14(4-5-17-3)10(16)13(8)2/h6H,4-5H2,1-3H3
• InChIKey: OGYDFHUEGLLFKA-UHFFFAOYSA-N

Properties

• Density: 1.384g/cm³ (Cal.)
• Boiling point: 450.436°C at 760 mmHg (Cal.)
• Flash point: 226.216°C (Cal.)