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7-(2-Hydroxyethyl)Theophylline [519-37-9]

 
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Identification
Copyright
CAS # 519-37-9, 7-(2-Hydroxyethyl)Theophylline
Name
7-(2-Hydroxyethyl)Theophylline
Synonyms
7-(2-Hydroxyethyl)-1,3-Dimethyl-Purine-2,6-Dione; 7-(2-Hydroxyethyl)-1,3-Dimethyl-Xanthine; Kbio3_002542
Molecular Formula
C9H12N4O3
Molecular Weight 224.22
CAS Registry Number
519-37-9
EINECS 208-269-8
SMILES
C1=NC2=C([N]1CCO)C(N(C)C(N2C)=O)=O
InChI
1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3
InChIKey NWPRCRWQMGIBOT-UHFFFAOYSA-N
down Properties
Desity 1.5±0.1g/cm3 (Cal.)  ref.
Boiling point 495.5±51.0°C at 760 mmHg (Cal.)  ref.
Flash point 253.5±30.4°C (Cal.)  ref.
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