Chemical Properties of Paraxanthine, n-propyl derivative

Paraxanthine, n-propyl derivative

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InChI
InChI=1S/C10H14N4O2/c1-4-5-14-8-7(12(2)6-11-8)9(15)13(3)10(14)16/h6H,4-5H2,1-3H3
InChI Key
DHYGGYFMXYRIGJ-UHFFFAOYSA-N
Formula
C10H14N4O2
SMILES
CCCn1c2ncn(C)c2c(=O)n(C)c1=O
Molecular Weight1
222.24
Sources

Physical Properties

Property Value Unit Source
logPoct/wat -0.16 Crippen Calculated Property

Similar Compounds

Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl. Xanthine, 7-(5'-oxohexyl)-3-methyl-1-propyl. Pentifylline. Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl, TMS. 1H-purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-. 1-(6'-hydroxyhexyl)-3-methyl-7-propylxanthine, O-TFA. 1-(5'-hydroxyhexyl)-3,7-dimethylxanthine, O-TFA. 1H-purine-2,6-dione, 7-ethyl-3,7-dihydro-1,3-dimethyl-. Proxyphylline. Theophylline, 7-(2,3-dihydroxypropyl)-. Etofylline. erythro-1-(4',5'-dihydroxyhexyl)-3,7-dimethylxanthine, O-TFA. threo-1-(4',5'-dihydroxyhexyl)-3,7-dimethylxanthine, O-TFA. Etamiphyllin. Caffeine.

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