5-[(6-Aminopurin-9-Yl)Methyl]-5-Methyl-3-Methylideneoxolan-2-One
[CAS# 105970-03-4]

Identification

• Name: 5-[(6-Aminopurin-9-Yl)Methyl]-5-Methyl-3-Methylideneoxolan-2-One
• Synonyms: 5-[(6-Aminopurin-9-Yl)Methyl]-5-Methyl-3-Methylene-Tetrahydrofuran-2-One; 5-[(6-Amino-9-Purinyl)Methyl]-5-Methyl-3-Methylene-2-Tetrahydrofuranone; 5-[(6-Aminopurin-9-Yl)Methyl]-5-Methyl-3-Methylidene-Oxolan-2-One
• Molecular Formula: C₁₂H₁₃N₅O₂
• Molecular Weight: 259.27
• CAS Registry Number: 105970-03-4
• SMILES: C1=NC3=C([N]1CC2(OC(=O)C(C2)=C)C)N=CN=C3N
• InChI: 1S/C12H13N5O2/c1-7-3-12(2,19-11(7)18)4-17-6-16-8-9(13)14-5-15-10(8)17/h5-6H,1,3-4H2,2H3,(H2,13,14,15)
• InChIKey: FCZOVUJWOBSMSS-UHFFFAOYSA-N

Properties

• Density: 1.53g/cm³ (Cal.)
• Boiling point: 555.803°C at 760 mmHg (Cal.)
• Flash point: 289.939°C (Cal.)