1-(2-Butenyl)-3,7-Dimethyl-1H-Purine-2,6(3H,7H)-Dione
[CAS# 63906-57-0]

Identification

• Name: 1-(2-Butenyl)-3,7-Dimethyl-1H-Purine-2,6(3H,7H)-Dione
• Synonyms: 1-But-2-Enyl-3,7-Dimethylpurine-2,6-Dione; 1-[(E)-But-2-Enyl]-3,7-Dimethyl-Purine-2,6-Dione; 1-But-2-Enyl-3,7-Dimethyl-Purine-2,6-Dione
• Molecular Formula: C₁₁H₁₄N₄O₂
• Molecular Weight: 234.26
• CAS Registry Number: 63906-57-0
• SMILES: C1=NC2=C([N]1C)C(=O)N(C(=O)N2C)C\C=C\C
• InChI: 1S/C11H14N4O2/c1-4-5-6-15-10(16)8-9(12-7-13(8)2)14(3)11(15)17/h4-5,7H,6H2,1-3H3/b5-4+
• InChIKey: NEXDOZRNANHHKQ-SNAWJCMRSA-N

Properties

• Density: 1.289g/cm³ (Cal.)
• Boiling point: 442.385°C at 760 mmHg (Cal.)
• Flash point: 221.347°C (Cal.)