5-(3,7-Dimethyl-2,6-Dioxopurin-1-Yl)Pentanoic Acid
[CAS# 38975-44-9]

Identification

• Name: 5-(3,7-Dimethyl-2,6-Dioxopurin-1-Yl)Pentanoic Acid
• Synonyms: 5-(3,7-Dimethyl-2,6-Dioxo-Purin-1-Yl)Pentanoic Acid; 5-(3,7-Dimethyl-2,6-Dioxo-1-Purinyl)Pentanoic Acid; 5-(2,6-Diketo-3,7-Dimethyl-Purin-1-Yl)Valeric Acid
• Molecular Formula: C₁₂H₁₆N₄O₄
• Molecular Weight: 280.28
• CAS Registry Number: 38975-44-9
• SMILES: C1=NC2=C([N]1C)C(=O)N(C(=O)N2C)CCCCC(=O)O
• InChI: 1S/C12H16N4O4/c1-14-7-13-10-9(14)11(19)16(12(20)15(10)2)6-4-3-5-8(17)18/h7H,3-6H2,1-2H3,(H,17,18)
• InChIKey: JDMFPLGXRUJOTC-UHFFFAOYSA-N

Properties

• Density: 1.45g/cm³ (Cal.)
• Boiling point: 571.923°C at 760 mmHg (Cal.)
• Flash point: 299.689°C (Cal.)