1,3-Dimethyl-8-(Propan-2-Ylamino)-7H-Purine-2,6-Dione
[CAS# 73908-78-8]

Identification

• Name: 1,3-Dimethyl-8-(Propan-2-Ylamino)-7H-Purine-2,6-Dione
• Synonyms: 8-(Isopropylamino)-1,3-Dimethyl-7H-Purine-2,6-Dione; 8-(Isopropylamino)-1,3-Dimethyl-7H-Purine-2,6-Quinone; 8-(Isopropylamino)Theophylline
• Molecular Formula: C₁₀H₁₅N₅O₂
• Molecular Weight: 237.26
• CAS Registry Number: 73908-78-8
• SMILES: CC(NC1=NC2=C([NH]1)C(N(C(N2C)=O)C)=O)C
• InChI: 1S/C10H15N5O2/c1-5(2)11-9-12-6-7(13-9)14(3)10(17)15(4)8(6)16/h5H,1-4H3,(H2,11,12,13)
• InChIKey: BRSDLGSNKASOJG-UHFFFAOYSA-N

Properties

• Density: 1.35g/cm³ (Cal.)
• Boiling point: 429.54°C at 760 mmHg (Cal.)
• Flash point: 213.578°C (Cal.)