7-[2-(1-Hydroxybutan-2-Ylamino)Ethyl]-1,3-Dimethylpurine-2,6-Dione
[CAS# 108940-62-1]

Identification

• Name: 7-[2-(1-Hydroxybutan-2-Ylamino)Ethyl]-1,3-Dimethylpurine-2,6-Dione
• Synonyms: 7-[2-[1-(Hydroxymethyl)Propylamino]Ethyl]-1,3-Dimethyl-Purine-2,6-Dione; 7-[2-[1-(Hydroxymethyl)Propylamino]Ethyl]-1,3-Dimethylpurine-2,6-Dione; 1,3-Dimethyl-7-[2-(1-Methylolpropylamino)Ethyl]Xanthine
• Molecular Formula: C₁₃H₂₁N₅O₃
• Molecular Weight: 295.34
• CAS Registry Number: 108940-62-1
• SMILES: C1=NC2=C([N]1CCNC(CO)CC)C(=O)N(C(=O)N2C)C
• InChI: 1S/C13H21N5O3/c1-4-9(7-19)14-5-6-18-8-15-11-10(18)12(20)17(3)13(21)16(11)2/h8-9,14,19H,4-7H2,1-3H3
• InChIKey: JEFACAYAIKTYII-UHFFFAOYSA-N

Properties

• Density: 1.368g/cm³ (Cal.)
• Boiling point: 551.389°C at 760 mmHg (Cal.)
• Flash point: 287.27°C (Cal.)