Calcium 1,2,3,6-Tetrahydro-1,3-Dimethyl-2,6-Dioxo-7H-Purine-7-Acetate
[CAS# 71720-41-7]

Identification

• Name: Calcium 1,2,3,6-Tetrahydro-1,3-Dimethyl-2,6-Dioxo-7H-Purine-7-Acetate
• Synonyms: Calcium 2-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Acetate; Calcium 2-(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)Acetate; Calcium 2-(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)Acetate
• Molecular Formula: C₉H₉CaN₄O₄
• Molecular Weight: 277.27
• CAS Registry Number: 71720-41-7
• EINECS: 275-889-3
• SMILES: C1=NC2=C([N]1CC([O-])=O)C(=O)N(C(=O)N2C)C.[Ca++]
• InChI: 1S/C9H10N4O4.Ca/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;+2/p-1
• InChIKey: DSGPJBRWHLDGGK-UHFFFAOYSA-M

Properties

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