8-(Dicyclopropylmethyl)-1,3-Dipropyl-7H-Purine-2,6-Dione
[CAS# 131080-42-7]

Identification

• Name: 8-(Dicyclopropylmethyl)-1,3-Dipropyl-7H-Purine-2,6-Dione
• Synonyms: 8-(Dicyclopropylmethyl)-1,3-Dipropyl-7H-Purine-2,6-Quinone; 1,3-Dipropyl-8-(2-Methylcyclopropyl)Xanthine; 1H-Purine-2,6-Dione, 8-(Dicyclopropylmethyl)-3,7-Dihydro-1,3-Dipropyl-
• Molecular Formula: C₁₈H₂₆N₄O₂
• Molecular Weight: 330.43
• CAS Registry Number: 131080-42-7
• SMILES: C(N4C1=C([NH]C(=N1)C(C2CC2)C3CC3)C(=O)N(C4=O)CCC)CC
• InChI: 1S/C18H26N4O2/c1-3-9-21-16-14(17(23)22(10-4-2)18(21)24)19-15(20-16)13(11-5-6-11)12-7-8-12/h11-13H,3-10H2,1-2H3,(H,19,20)
• InChIKey: OEPXIQLEKWHAGE-UHFFFAOYSA-N

Properties

• Density: 1.272g/cm³ (Cal.)
• Boiling point: 545.706°C at 760 mmHg (Cal.)
• Flash point: 283.833°C (Cal.)

References

• (1): N. Hirayama, Y. Nagahara, J. Shimada and F. Suzuki. Structure of 8-(dicyclopropylmethyl)-1,3-dipropylxanthine, Acta Cryst. (1993). C49, 1413-1414