4-(6-Aminopurin-9-Yl)-4-Methylpentan-2-One
[CAS# 133086-82-5]

Identification

• Name: 4-(6-Aminopurin-9-Yl)-4-Methylpentan-2-One
• Synonyms: 4-(6-Aminopurin-9-Yl)-4-Methyl-Pentan-2-One; 4-(6-Amino-9-Purinyl)-4-Methylpentan-2-One; Ganoderpurine
• Molecular Formula: C₁₁H₁₅N₅O
• Molecular Weight: 233.27
• CAS Registry Number: 133086-82-5
• SMILES: C1=NC2=C([N]1C(CC(C)=O)(C)C)N=CN=C2N
• InChI: 1S/C11H15N5O/c1-7(17)4-11(2,3)16-6-15-8-9(12)13-5-14-10(8)16/h5-6H,4H2,1-3H3,(H2,12,13,14)
• InChIKey: SQCBZEQJJGPSQM-UHFFFAOYSA-N

Properties

• Density: 1.337g/cm³ (Cal.)
• Boiling point: 449.232°C at 760 mmHg (Cal.)
• Flash point: 225.487°C (Cal.)

References

• (1): Dulin Kong, Mingshu Wu, Huiyan Li and Jingya Ma . 9-(1,1-Dimethyl-3-oxobutyl)adenine , Acta Cryst (2010). E66, o2475Â Â