7-(b-Hydroxypropyl)theophylline

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Catalog Number
ACM603009
Product Name
7-(b-Hydroxypropyl)theophylline
Structure
Structure
CAS
603-00-9
Category
Heterocyclic Organic Compound
Synonyms
1,3-Dimethyl-7-(2-hydroxypropyl)xanthine;1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxypropyl)-;1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxypropyl)-1,3-dimethyl-;2-Hydroxypropyl-7-theophylline;3,7-dihydro-1,3-dimethyl-7-(2-hydroxypropyl)-1h-
IUPAC Name
7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
Molecular Weight
238.24
Molecular Formula
C10H14N4O3
Canonical SMILES
CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O
InChI Key
KYHQZNGJUGFTGR-UHFFFAOYSA-N
Boiling Point
487.2ºC
Melting Point
134-136ºC
Flash Point
248.5ºC
Density
1.46 g/cm³
Appearance
White Solid
EC Number
210-028-7
Exact Mass
238.10700
Hazard Statements
Xn
H-Bond Acceptor
5
H-Bond Donor
1
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