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8-Phenyltheophylline
[CAS# 961-45-5]

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Identification
Name 8-Phenyltheophylline
Synonyms 1,3-Dimethyl-8-Phenyl-7H-Purine-2,6-Quinone; Zinc00120016; Pdsp2_000320
Molecular Structure CAS#: 961-45-5, 8-Phenyltheophylline
Molecular Formula C13H12N4O2
Molecular Weight 256.26
CAS Registry Number 961-45-5
SMILES C3=C(C1=NC2=C([NH]1)C(N(C)C(N2C)=O)=O)C=CC=C3
InChI 1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)
InChIKey PJFMAVHETLRJHJ-UHFFFAOYSA-N
Properties
Density 1.4±0.1g/cm3 (Cal.)
Boiling point 517.7±42.0°C at 760 mmHg (Cal.)
Flash point 266.9±27.9°C (Cal.)
Safety Data
SDS Available
Market Analysis Reports
List of Reports Available for 8-Phenyltheophylline
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