Chemical Properties of 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione (CAS 69975-86-6)

7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione

InChI
InChI=1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3
InChI Key
HWXIGFIVGWUZAO-UHFFFAOYSA-N
Formula
C11H14N4O4
SMILES
Cn1c(=O)c2c(ncn2CC2OCCO2)n(C)c1=O
Molecular Weight1
266.26
CAS
69975-86-6
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Physical Properties

Property Value Unit Source
IE 8.19 eV Relay (1.0) Calculated Property
log10WS -0.57 Relay (1.0) Calculated Property
logPoct/wat -1.193 Crippen Calculated Property
McVol 179.470 ml/mol McGowan Calculated Property
Tfus 417.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Dyphylline. Proxyphylline. Theophylline, n-propyl derivative. 1-(6'-hydroxyhexyl)-3-methyl-7-propylxanthine, O-TFA. 7-Butyltheophylline. Etofylline. Acefylline Piperazine. 1-(5',6'-dihydroxyhexyl)-3,7-dimethylxanthine, O-TFA. Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl, TFA. Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl, TMS. Xanthine, 1-(5'-hydroxyhexyl)-3,7-dimethyl, TMS. [2H5]trans-Zeatin riboside, permethylated. cis-Zeatin riboside, permethylated. 1-(5'-hydroxyhexyl)-3,7-dimethylxanthine, O-TFA. Leu-Trp, N-trimethylsilyl-, trimethylsilyl ester.

Find more compounds similar to 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione.

Sources

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