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Structure

7-[2-Hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione

CAS
2530-97-4
Catalog Number
ACM2530974
Category
Other Products
Molecular Weight
311.337 g/mol
Molecular Formula
C13H21N5O4

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Specification

Synonyms
Xanthinol, Jupal, CID9913, LS-149587, 7-(2-Hydroxy-3-(N-(2-hydroxyethyl)-N-methylamino)propyl)theophylline, Theophylline, 7-(2-hydroxy-3-(N-(2-hydroxyethyl)-N-methylamino)propyl)-, 2530-97-4
IUPAC Name
7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione
Canonical SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)CCO)O
InChI Key
DSFGXPJYDCSWTA-UHFFFAOYSA-N
Boiling Point
589.3ºC at 760mmHg
Flash Point
310.2ºC
Density
1.41g/cm³
Exact Mass
311.15900
H-Bond Acceptor
6
H-Bond Donor
2
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