Substance
- Substance Name: 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione
- Formula: C13H18N4O3
- Molecular Weight: 278.31 g/mol
- Identifiers:
- inchi: InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3
- inchikey: BYPFEZZEUUWMEJ-UHFFFAOYSA-N
- casrn: 6493-05-6
- csmiles: CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C
- ismiles: CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C
- pubchemId: 4740
- iupacname: 3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione
- wikidataId: Q416331
- chemspiderId: 4578
- dsstoxcmpId: DTXCID803437
- chemblId: CHEMBL628
- ecnumber: 229-374-5
3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione
Systems and Datasets
- 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione (Datasets: 1)
- Dataset 2 in paper 10.1016/j.fluid.2014.01.041 (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)
- carbon dioxide + 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione (Datasets: 1)
- Dataset 5 in paper 10.1016/j.fluid.2014.01.041 (Dataseries: 3, Datapoints: 21, Quantity: Mole fraction)
- 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione + water (Datasets: 1)
- Dataset 1 in paper 10.1016/j.jct.2012.05.009 (Dataseries: 4, Datapoints: 20, Quantity: Mass density)
- 2-aminoacetic acid + 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione + water (Datasets: 1)
- Dataset 2 in paper 10.1016/j.jct.2012.05.009 (Dataseries: 4, Datapoints: 28, Quantity: Mass density)
- (S)-2-aminopropanoic acid + 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione + water (Datasets: 1)
- Dataset 3 in paper 10.1016/j.jct.2012.05.009 (Dataseries: 4, Datapoints: 28, Quantity: Mass density)
- L-valine + 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione + water (Datasets: 1)
- Dataset 4 in paper 10.1016/j.jct.2012.05.009 (Dataseries: 4, Datapoints: 28, Quantity: Mass density)
- glycylglycine + 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione + water (Datasets: 1)
- Dataset 5 in paper 10.1016/j.jct.2012.05.009 (Dataseries: 4, Datapoints: 28, Quantity: Mass density)
- glycylglycylglycine + 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione + water (Datasets: 1)
- Dataset 6 in paper 10.1016/j.jct.2012.05.009 (Dataseries: 4, Datapoints: 28, Quantity: Mass density)