3-(1,3-Dimethyl-2,6-Dioxo-1,2,3,6-Tetrahydro-7H-Purin-7-Yl)Propanoic Acid
[CAS# 17781-08-7]

Identification

• Name: 3-(1,3-Dimethyl-2,6-Dioxo-1,2,3,6-Tetrahydro-7H-Purin-7-Yl)Propanoic Acid
• Synonyms: 3-(1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL)PROPANOICACID; 3-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-propionic acid; 3-(1,3-dimethyl-2,6-dioxo-1,3,7-trihydropurin-7-yl)propanoic acid
• Molecular Formula: C₁₀H₁₂N₄O₄
• Molecular Weight: 252.23
• CAS Registry Number: 17781-08-7
• SMILES: O=C2N(c1ncn(c1C(=O)N2C)CCC(=O)O)C
• InChI: 1S/C10H12N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)4-3-6(15)16/h5H,3-4H2,1-2H3,(H,15,16)
• InChIKey: ZYUPLDFSBVJNIH-UHFFFAOYSA-N

Properties

• Density: 1.566g/cm³ (Cal.)
• Boiling point: 557.697°C at 760 mmHg (Cal.)
• Flash point: 291.085°C (Cal.)
• Refractive index: 1.689 (Cal.)

Safety Data

• Safety Description: IRRITANT