7-Butyryl-1,3-Dimethyl-3,7-Dihydro-1H-Purine-2,6-Dione
[CAS# 3056-21-1]

Identification

• Name: 7-Butyryl-1,3-Dimethyl-3,7-Dihydro-1H-Purine-2,6-Dione
• Synonyms: 7-butyryl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
• Molecular Formula: C₁₁H₁₄N₄O₃
• Molecular Weight: 250.25
• CAS Registry Number: 3056-21-1
• SMILES: CCCC(=O)n2cnc1N(C)C(=O)N(C)C(=O)c12
• InChI: 1S/C11H14N4O3/c1-4-5-7(16)15-6-12-9-8(15)10(17)14(3)11(18)13(9)2/h6H,4-5H2,1-3H3
• InChIKey: MZWAEHYAKJOENW-UHFFFAOYSA-N

Properties

• Density: 1.398g/cm³ (Cal.)
• Boiling point: 440.831°C at 760 mmHg (Cal.)
• Flash point: 220.407°C (Cal.)