Aminophylline

• CAS: 317-34-0
• Catalog Number: ACM317340
• Category: Main Products
• Molecular Weight: 420.43
• Molecular Formula: C₁₄H₁₆N₈O₄·C₂H₈N₂
• Synonyms: Theophyllamine
• IUPAC Name: Aminophylline
• InChI: InChI=1S/2C7H8N4O2.C2H8N2/c2*1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4/h2*3H,1-2H3,(H,8,9);1-4H2
• InChI Key: FQPFAHBPWDRTLU-UHFFFAOYSA-N
• Boiling Point: 454.1ºC at 760mmHg
• Melting Point: 269-270 °C
• Appearance: white powder
• Complexity: 273
• Covalently-Bonded Unit Count: 3
• Defined Atom Stereocenter Count: 0
• Exact Mass: 420.19819929
• Hazard Statements: C:Corrosive
• Heavy Atom Count: 30
• Hydrogen Bond Acceptor Count: 8
• Hydrogen Bond Donor Count: 4
• Monoisotopic Mass: 420.19819929
• Packing Group: III
• Physical State: Powder
• Rotatable Bond Count: 1
• Safety Description: S23-S26-S36/37/39-S45
• Stability: Stable under normal temperatures and pressures. Absorbs carbon dioxide from the air. Unstable in acid solution.
• Topological Polar Surface Area: 191 Ų
• WGK Germany: 3