1,3,7-Trimethyl-8-[(E)-Prop-1-Enyl]Purine-2,6-Dione
[CAS# 73747-39-4]

Identification

• Name: 1,3,7-Trimethyl-8-[(E)-Prop-1-Enyl]Purine-2,6-Dione
• Synonyms: 1,3,7-Trimethyl-8-Prop-1-Enylpurine-2,6-Dione; 1,3,7-Trimethyl-8-Prop-1-Enyl-Purine-2,6-Dione; 1,3,7-Trimethyl-8-Prop-1-Enyl-Xanthine
• Molecular Formula: C₁₁H₁₄N₄O₂
• Molecular Weight: 234.26
• CAS Registry Number: 73747-39-4
• SMILES: CN2C1=C([N](C(=N1)\C=C\C)C)C(N(C2=O)C)=O
• InChI: 1S/C11H14N4O2/c1-5-6-7-12-9-8(13(7)2)10(16)15(4)11(17)14(9)3/h5-6H,1-4H3/b6-5+
• InChIKey: NLJFVWINVFJJCG-AATRIKPKSA-N

Properties

• Density: 1.295g/cm³ (Cal.)
• Boiling point: 434.194°C at 760 mmHg (Cal.)
• Flash point: 216.393°C (Cal.)