7-[2-Hydroxy-3-(2-Hydroxyethyl-Methylamino)Propyl]-1,3-Dimethylpurine-2,6-Dione
[CAS# 2530-97-4]

Identification

• Name: 7-[2-Hydroxy-3-(2-Hydroxyethyl-Methylamino)Propyl]-1,3-Dimethylpurine-2,6-Dione
• Synonyms: 7-[2-Hydroxy-3-(2-Hydroxyethyl-Methyl-Amino)Propyl]-1,3-Dimethyl-Purine-2,6-Dione; 7-[2-Hydroxy-3-(2-Hydroxyethyl-Methyl-Amino)Propyl]-1,3-Dimethyl-Xanthine; Jupal
• Molecular Formula: C₁₃H₂₁N₅O₄
• Molecular Weight: 311.34
• CAS Registry Number: 2530-97-4
• SMILES: C1=NC2=C([N]1CC(CN(CCO)C)O)C(N(C)C(N2C)=O)=O
• InChI: 1S/C13H21N5O4/c1-15(4-5-19)6-9(20)7-18-8-14-11-10(18)12(21)17(3)13(22)16(11)2/h8-9,19-20H,4-7H2,1-3H3
• InChIKey: DSFGXPJYDCSWTA-UHFFFAOYSA-N

Properties

• Density: 1.42g/cm³ (Cal.)
• Boiling point: 589.281°C at 760 mmHg (Cal.)
• Flash point: 310.186°C (Cal.)