1,3-Dimethyl-7-[4-(2-Nitroimidazol-1-Yl)Butyl]Purine-2,6-Dione
[CAS# 137046-51-6]

Identification

• Name: 1,3-Dimethyl-7-[4-(2-Nitroimidazol-1-Yl)Butyl]Purine-2,6-Dione
• Synonyms: 1-[4-(1,3-Dimethyl-2,6-Dioxopurin-7-Yl)Butyl]-N-Hydroxyimidazol-2-Amine Oxide; 7-[4-[2-(Hydroxy-Oxidoamino)Imidazol-1-Yl]Butyl]-1,3-Dimethylpurine-2,6-Dione; 1-[4-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Butyl]-N-Hydroxy-Imidazol-2-Amine Oxide
• Molecular Formula: C₁₄H₁₇N₇O₄
• Molecular Weight: 347.33
• CAS Registry Number: 137046-51-6
• SMILES: C1=NC3=C([N]1CCCC[N]2C(=NC=C2)[N+]([O-])=O)C(=O)N(C(=O)N3C)C
• InChI: 1S/C14H17N7O4/c1-17-11-10(12(22)18(2)14(17)23)20(9-16-11)7-4-3-6-19-8-5-15-13(19)21(24)25/h5,8-9H,3-4,6-7H2,1-2H3
• InChIKey: WMZHJZFCFREAFU-UHFFFAOYSA-N

Properties

• Density: 1.556g/cm³ (Cal.)
• Boiling point: 665.188°C at 760 mmHg (Cal.)
• Flash point: 356.093°C (Cal.)