Substance
- Substance Name: 7-(2-hydroxyethyl)-1,3-dimethylxanthine
- Formula: C9H12N4O3
- Molecular Weight: 224.22 g/mol
- Identifiers:
- inchi: InChI=1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3
- inchikey: NWPRCRWQMGIBOT-UHFFFAOYSA-N
- casrn: 519-37-9
- csmiles: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCO
- ismiles: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCO
- pubchemId: 1892
- iupacname: 7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione
- wikidataId: Q3733837
- chemspiderId: 1820
- dsstoxcmpId: DTXCID603031
- chemblId: CHEMBL699
- ecnumber: 208-269-8
7-(2-hydroxyethyl)-1,3-dimethylxanthine
Systems and Datasets
- 7-(2-hydroxyethyl)-1,3-dimethylxanthine (Datasets: 2)
- Dataset 3 in paper 10.1016/j.jct.2014.05.005 (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)
- Dataset 4 in paper 10.1016/j.jct.2014.05.005 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- 7-(2-hydroxyethyl)-1,3-dimethylxanthine + water (Datasets: 1)
- Dataset 11 in paper 10.1016/j.jct.2014.05.005 (Dataseries: 1, Datapoints: 18, Quantity: Solid-liquid equilibrium temperature)
- ethanol + 7-(2-hydroxyethyl)-1,3-dimethylxanthine (Datasets: 1)
- Dataset 12 in paper 10.1016/j.jct.2014.05.005 (Dataseries: 1, Datapoints: 11, Quantity: Solid-liquid equilibrium temperature)
- octan-1-ol + 7-(2-hydroxyethyl)-1,3-dimethylxanthine (Datasets: 1)
- Dataset 13 in paper 10.1016/j.jct.2014.05.005 (Dataseries: 1, Datapoints: 8, Quantity: Solid-liquid equilibrium temperature)