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
CCCn1c(=O)n(C)c(=O)c2c1ncn2C
Molecular Weight1
222.24
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Physical Properties

Property Value Unit Source
log10WS -5.14 Crippen Calculated Property
logPoct/wat -0.156 Crippen Calculated Property
McVol 164.500 ml/mol McGowan Calculated Property
Inp 1999.00 NIST

Similar Compounds

Theobromine, n-propyl derivative. 1-Butyltheobromine. Pentifylline. Xanthine, 7-(5'-oxohexyl)-3-methyl-1-propyl. Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl. Pentoxifylline. 1-(6'-oxoheptyl)-3,7-dimethylxanthine. Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl, TMS. Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl, TFA. 7-Butyltheophylline. Xanthine, 1-(5'-hydroxyhexyl)-3,7-dimethyl. 1-(6'-hydroxyhexyl)-3-methyl-7-propylxanthine, O-TFA. Xanthine, 1-(5'-hydroxyhexyl)-3,7-dimethyl, TMS. 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-. Theophylline, n-propyl derivative.

Find more compounds similar to Paraxanthine, n-propyl derivative.

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