8-(Cyclopentylmethyl)-1,3,7-Trimethylpurine-2,6-Dione
[CAS# 73747-32-7]

Identification

• Name: 8-(Cyclopentylmethyl)-1,3,7-Trimethylpurine-2,6-Dione
• Synonyms: 8-(Cyclopentylmethyl)-1,3,7-Trimethyl-Purine-2,6-Dione; 8-(Cyclopentylmethyl)-1,3,7-Trimethyl-Xanthine; Nciopen2_006784
• Molecular Formula: C₁₄H₂₀N₄O₂
• Molecular Weight: 276.34
• CAS Registry Number: 73747-32-7
• SMILES: C(C1=NC2=C([N]1C)C(=O)N(C(=O)N2C)C)C3CCCC3
• InChI: 1S/C14H20N4O2/c1-16-10(8-9-6-4-5-7-9)15-12-11(16)13(19)18(3)14(20)17(12)2/h9H,4-8H2,1-3H3
• InChIKey: SULCDSJHCRJOLW-UHFFFAOYSA-N

Properties

• Density: 1.371g/cm³ (Cal.)
• Boiling point: 474.644°C at 760 mmHg (Cal.)
• Flash point: 240.856°C (Cal.)