Substance
- Substance Name: 7-(2,3-dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
- Formula: C10H14N4O4
- Molecular Weight: 254.24 g/mol
- Identifiers:
- inchi: InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3
- inchikey: KSCFJBIXMNOVSH-UHFFFAOYSA-N
- casrn: 479-18-5
- csmiles: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O
- ismiles: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O
- pubchemId: 3182
- iupacname: 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione
- wikidataId: Q1073333
- chemspiderId: 3070
- dsstoxcmpId: DTXCID102975
- chemblId: CHEMBL1752
- ecnumber: 207-526-1
7-(2,3-dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Systems and Datasets
- 7-(2,3-dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (Datasets: 1)
- Dataset 1 in paper 10.1016/j.jct.2019.06.007 (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)
- 7-(2,3-dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione + methanol (Datasets: 1)
- Dataset 2 in paper 10.1016/j.jct.2019.06.007 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 7-(2,3-dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione + ethanol (Datasets: 1)
- Dataset 3 in paper 10.1016/j.jct.2019.06.007 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 7-(2,3-dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione + propan-1-ol (Datasets: 1)
- Dataset 4 in paper 10.1016/j.jct.2019.06.007 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 7-(2,3-dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione + propan-2-ol (Datasets: 1)
- Dataset 5 in paper 10.1016/j.jct.2019.06.007 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 7-(2,3-dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione + acetone (Datasets: 1)
- Dataset 6 in paper 10.1016/j.jct.2019.06.007 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 7-(2,3-dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione + acetonitrile (Datasets: 1)
- Dataset 7 in paper 10.1016/j.jct.2019.06.007 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 7-(2,3-dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione + ethyl acetate (Datasets: 1)
- Dataset 8 in paper 10.1016/j.jct.2019.06.007 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 7-(2,3-dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione + water (Datasets: 1)
- Dataset 9 in paper 10.1016/j.jct.2019.06.007 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 7-(2,3-dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione + 1,4-dioxane (Datasets: 1)
- Dataset 10 in paper 10.1016/j.jct.2019.06.007 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- 7-(2,3-dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione + toluene (Datasets: 1)
- Dataset 11 in paper 10.1016/j.jct.2019.06.007 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 7-(2,3-dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione + methanol + water (Datasets: 1)
- Dataset 12 in paper 10.1016/j.jct.2019.06.007 (Dataseries: 6, Datapoints: 54, Quantity: Mole fraction)