Theophylline
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Molecular Structure
Other Information
- CAS Registry Number: 58-55-9
- Transport: UN 2811
- Melting Point: 270-274 ºC
- Density: 1.465 g/cm3
- Refractive index: 1.737
- Water Solubility: 8.3 G/L (20 ºC)
- Safety Statements: R22
- Hazard Symbols: Xn: Harmful;
- EINECS: 200-385-7
- Molecular Weight: 180.16402
- InchiKey: ZFXYFBGIUFBOJW-UHFFFAOYSA-N
- InChI: InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
- Risk Statements: R22
- Molecular Formula: C7H8N4O2