1,3-Dimethyl-8-[(E)-3-Phenylprop-2-Enyl]-7H-Purine-2,6-Dione
[CAS# 74039-67-1]

Identification

• Name: 1,3-Dimethyl-8-[(E)-3-Phenylprop-2-Enyl]-7H-Purine-2,6-Dione
• Synonyms: 1,3-Dimethyl-8-(3-Phenylprop-2-Enyl)-7H-Purine-2,6-Dione; 1,3-Dimethyl-8-[(E)-3-Phenylprop-2-Enyl]-7H-Purine-2,6-Quinone; 1,3-Dimethyl-8-(3-Phenylprop-2-Enyl)-7H-Purine-2,6-Quinone
• Molecular Formula: C₁₆H₁₆N₄O₂
• Molecular Weight: 296.33
• CAS Registry Number: 74039-67-1
• SMILES: C1=CC=CC=C1/C=C/CC2=NC3=C([NH]2)C(N(C)C(N3C)=O)=O
• InChI: 1S/C16H16N4O2/c1-19-14-13(15(21)20(2)16(19)22)17-12(18-14)10-6-9-11-7-4-3-5-8-11/h3-9H,10H2,1-2H3,(H,17,18)/b9-6+
• InChIKey: GJSSSUBMGXKITK-RMKNXTFCSA-N

Properties

• Density: 1.319g/cm³ (Cal.)
• Boiling point: 579.336°C at 760 mmHg (Cal.)
• Flash point: 304.172°C (Cal.)