8-(Dimethylamino)-3,9-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione
[CAS# 5426-47-1]

Identification

• Name: 8-(Dimethylamino)-3,9-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione
• Synonyms: 8-Dimethylamino-1,3-Dimethyl-7H-Purine-2,6-Quinone; 1H-Purine-2,6-Dione, 8-(Dimethylamino)-3,7-Dihydro-1,3-Dimethyl-; 8-(Dimethylamino)Theophylline
• Molecular Formula: C₉H₁₃N₅O₂
• Molecular Weight: 223.23
• CAS Registry Number: 5426-47-1
• SMILES: CN2C1=C([NH]C(=N1)N(C)C)C(N(C)C2=O)=O
• InChI: 1S/C9H13N5O2/c1-12(2)8-10-5-6(11-8)13(3)9(16)14(4)7(5)15/h1-4H3,(H,10,11)
• InChIKey: QOFFIYLUCIEBBX-UHFFFAOYSA-N

Properties

• Density: 1.387g/cm³ (Cal.)
• Boiling point: 418.801°C at 760 mmHg (Cal.)
• Flash point: 207.083°C (Cal.)