1,2,3,6-Tetrahydro-1,3-Dimethyl-2,6-Dioxo-7H-Purine-7-Butyric Acid
[CAS# 52083-48-4]

Identification

• Name: 1,2,3,6-Tetrahydro-1,3-Dimethyl-2,6-Dioxo-7H-Purine-7-Butyric Acid
• Synonyms: 4-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Butanoate; 4-(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)Butanoate; 4-(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)Butyrate
• Molecular Formula: C₁₁H₁₃N₄O₄
• Molecular Weight: 265.25
• CAS Registry Number: 52083-48-4
• EINECS: 257-648-4
• SMILES: C1=NC2=C([N]1CCCC([O-])=O)C(=O)N(C(=O)N2C)C
• InChI: 1S/C11H14N4O4/c1-13-9-8(10(18)14(2)11(13)19)15(6-12-9)5-3-4-7(16)17/h6H,3-5H2,1-2H3,(H,16,17)/p-1
• InChIKey: KCQMWMWEALWVLJ-UHFFFAOYSA-M

Properties

• Boiling point: 570.122°C at 760 mmHg (Cal.)
• Flash point: 298.6°C (Cal.)