8-Butylamino-7-(2,3-Dihydroxypropyl)-1,3-Dimethylpurine-2,6-Dione
[CAS# 111038-28-9]

Identification

• Name: 8-Butylamino-7-(2,3-Dihydroxypropyl)-1,3-Dimethylpurine-2,6-Dione
• Synonyms: 8-Butylamino-7-(2,3-Dihydroxypropyl)-1,3-Dimethyl-Purine-2,6-Dione; 8-Butylamino-7-Glyceryl-1,3-Dimethyl-Xanthine; 1H-Purine-2,6-Dione, 3,7-Dihydro-8-(Butylamino)-7-(2,3-Dihydroxypropyl)-1,3-Dimethyl-
• Molecular Formula: C₁₄H₂₃N₅O₄
• Molecular Weight: 325.37
• CAS Registry Number: 111038-28-9
• SMILES: C([N]1C(=NC2=C1C(N(C(N2C)=O)C)=O)NCCCC)C(CO)O
• InChI: 1S/C14H23N5O4/c1-4-5-6-15-13-16-11-10(19(13)7-9(21)8-20)12(22)18(3)14(23)17(11)2/h9,20-21H,4-8H2,1-3H3,(H,15,16)
• InChIKey: ZENUOIDBLQHVII-UHFFFAOYSA-N

Properties

• Density: 1.419g/cm³ (Cal.)
• Boiling point: 581.766°C at 760 mmHg (Cal.)
• Flash point: 305.641°C (Cal.)