7-(2,3-Dihydroxypropyl)-1,3-Dimethyl-8-Methylaminopurine-2,6-Dione
[CAS# 111038-26-7]

Identification

• Name: 7-(2,3-Dihydroxypropyl)-1,3-Dimethyl-8-Methylaminopurine-2,6-Dione
• Synonyms: 7-(2,3-Dihydroxypropyl)-1,3-Dimethyl-8-Methylamino-Purine-2,6-Dione; 7-Glyceryl-1,3-Dimethyl-8-Methylamino-Xanthine; 7-(2,3-Dihydroxypropyl)-8-Methylaminotheophylline
• Molecular Formula: C₁₁H₁₇N₅O₄
• Molecular Weight: 283.29
• CAS Registry Number: 111038-26-7
• SMILES: C([N]1C(=NC2=C1C(N(C(N2C)=O)C)=O)NC)C(CO)O
• InChI: 1S/C11H17N5O4/c1-12-10-13-8-7(16(10)4-6(18)5-17)9(19)15(3)11(20)14(8)2/h6,17-18H,4-5H2,1-3H3,(H,12,13)
• InChIKey: PCYJXCVNFNAIHS-UHFFFAOYSA-N

Properties

• Density: 1.565g/cm³ (Cal.)
• Boiling point: 574.357°C at 760 mmHg (Cal.)
• Flash point: 301.161°C (Cal.)