8-(1-Cyclohexenylmethyl)-1,3-Dimethyl-7H-Purine-2,6-Dione
[CAS# 74039-69-3]

Identification

• Name: 8-(1-Cyclohexenylmethyl)-1,3-Dimethyl-7H-Purine-2,6-Dione
• Synonyms: 8-(1-Cyclohexenylmethyl)-1,3-Dimethyl-7H-Purine-2,6-Quinone; 1H-Purine-2,6-Dione, 8-(1-Cyclohexen-1-Ylmethyl)-3,7-Dihydro-1,3-Dimethyl-; 8-(1-Cyclohexen-1-Ylmethyl)Theophylline
• Molecular Formula: C₁₄H₁₈N₄O₂
• Molecular Weight: 274.32
• CAS Registry Number: 74039-69-3
• SMILES: C(C1=NC2=C([NH]1)C(=O)N(C(=O)N2C)C)C3=CCCCC3
• InChI: 1S/C14H18N4O2/c1-17-12-11(13(19)18(2)14(17)20)15-10(16-12)8-9-6-4-3-5-7-9/h6H,3-5,7-8H2,1-2H3,(H,15,16)
• InChIKey: VVXQBRAMOXSDLG-UHFFFAOYSA-N

Properties

• Density: 1.309g/cm³ (Cal.)
• Boiling point: 515.476°C at 760 mmHg (Cal.)
• Flash point: 265.551°C (Cal.)