Sodium 1,2,3,6-Tetrahydro-1,3-Dimethyl-2,6-Dioxo-7H-Purine-7-Acetate
[CAS# 837-27-4]

Identification

• Name: Sodium 1,2,3,6-Tetrahydro-1,3-Dimethyl-2,6-Dioxo-7H-Purine-7-Acetate
• Synonyms: Sodium 2-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Acetate; Sodium 2-(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)Acetate; Sodium 2-(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)Acetate
• Molecular Formula: C₉H₉N₄NaO₄
• Molecular Weight: 260.18
• CAS Registry Number: 837-27-4
• EINECS: 212-652-5
• SMILES: C1=NC2=C([N]1CC([O-])=O)C(=O)N(C(=O)N2C)C.[Na+]
• InChI: 1S/C9H10N4O4.Na/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15;/h4H,3H2,1-2H3,(H,14,15);/q;+1/p-1
• InChIKey: MSFVZSOKOXZSME-UHFFFAOYSA-M

Properties

• Boiling point: 555.7°C at 760 mmHg (Cal.)
• Flash point: 289.9°C (Cal.)