2-(2-Propoxyphenyl)-8-Aza-6-Purinone
[CAS# 55122-20-8]

Identification

• Name: 2-(2-Propoxyphenyl)-8-Aza-6-Purinone
• Synonyms: 5-(2-Propoxyphenyl)-2,3-Dihydro-[1,2,3]Triazolo[4,5-E]Pyrimidin-7-One; M And B 22948; M&B 22,948
• Molecular Formula: C₁₃H₁₃N₅O₂
• Molecular Weight: 271.28
• CAS Registry Number: 55122-20-8
• SMILES: C1=C(C(=CC=C1)OCCC)C3=NC(=O)C2=NNNC2=N3
• InChI: 1S/C13H13N5O2/c1-2-7-20-9-6-4-3-5-8(9)11-14-12-10(13(19)15-11)16-18-17-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17,18,19)
• InChIKey: REZGGXNDEMKIQB-UHFFFAOYSA-N

Properties

• Density: 1.484g/cm³ (Cal.)
• Boiling point: 406.26°C at 760 mmHg (Cal.)
• Flash point: 199.499°C (Cal.)
• solubility: Soluble to 100 mM in DMSO