Theophylline-2-Aminoethanol
[CAS# 573-41-1]

Identification

• Name: Theophylline-2-Aminoethanol
• Synonyms: 2-Aminoethanol; 1,3-Dimethyl-7H-Purine-2,6-Quinone; 1H-Purine-2,6-Dione, 3,7-Dihydro-1,3-Dimethyl-, Compd. With 2-Aminoethanol (1:1); Clysmathane
• Molecular Formula: C₉H₁₅N₅O₃
• Molecular Weight: 241.25
• CAS Registry Number: 573-41-1
• EINECS: 209-355-8
• SMILES: C1=NC2=C([NH]1)C(=O)N(C(=O)N2C)C.C(O)CN
• InChI: 1S/C7H8N4O2.C2H7NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4/h3H,1-2H3,(H,8,9);4H,1-3H2
• InChIKey: DAAFJZUNCOXSKD-UHFFFAOYSA-N

Properties

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