8-(Cyclohexylmethyl)-1,3-Dimethyl-7H-Purine-2,6-Dione
[CAS# 74039-70-6]

Identification

• Name: 8-(Cyclohexylmethyl)-1,3-Dimethyl-7H-Purine-2,6-Dione
• Synonyms: 8-(Cyclohexylmethyl)-1,3-Dimethyl-7H-Purine-2,6-Quinone; 4-26-00-02503 (Beilstein Handbook Reference); 8-(Cyclohexylmethyl)Thiophylline
• Molecular Formula: C₁₄H₂₀N₄O₂
• Molecular Weight: 276.34
• CAS Registry Number: 74039-70-6
• SMILES: C(C1=NC2=C([NH]1)C(N(C(N2C)=O)C)=O)C3CCCCC3
• InChI: 1S/C14H20N4O2/c1-17-12-11(13(19)18(2)14(17)20)15-10(16-12)8-9-6-4-3-5-7-9/h9H,3-8H2,1-2H3,(H,15,16)
• InChIKey: ZCUVAPMRCRWXEP-UHFFFAOYSA-N

Properties

• Density: 1.266g/cm³ (Cal.)
• Boiling point: 517.286°C at 760 mmHg (Cal.)
• Flash point: 266.645°C (Cal.)