3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione, Potassium Salt
[CAS# 57533-87-6]

Identification

• Name: 3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione, Potassium Salt
• Synonyms: Potassium Theophylline; 3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione, Potassium Salt
• Molecular Formula: C₇H₈KN₄O₂
• Molecular Weight: 219.26
• CAS Registry Number: 57533-87-6
• EINECS: 260-798-3
• SMILES: C1=NC2=C([NH]1)C(=O)N(C(=O)N2C)C.[K+]
• InChI: 1S/C7H8N4O2.K/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;/h3H,1-2H3,(H,8,9);/q;+1
• InChIKey: AYOJGYLLBVGRNI-UHFFFAOYSA-N

Properties

• Boiling point: 454.1°C at 760 mmHg (Cal.)
• Flash point: 228.4°C (Cal.)