5-(1,3-Benzodioxol-5-ylmethyl)-2-(nitroamino)-4(1H)-pyrimidinone
[CAS# 72716-71-3]

Identification

• Name: 5-(1,3-Benzodioxol-5-ylmethyl)-2-(nitroamino)-4(1H)-pyrimidinone
• Synonyms: 5-(1,3-benzodioxol-5-ylmethyl)-2-(nitroamino)-1H-pyrimidin-4-one
• Molecular Formula: C₁₂H₁₀N₄O₅
• Molecular Weight: 290.23
• CAS Registry Number: 72716-71-3
• EINECS: 276-779-8
• SMILES: [O-][N+](=O)NC1=NC(=O)C(=CN1)Cc2ccc3OCOc3c2
• InChI: 1S/C12H10N4O5/c17-11-8(5-13-12(14-11)15-16(18)19)3-7-1-2-9-10(4-7)21-6-20-9/h1-2,4-5H,3,6H2,(H2,13,14,15,17)
• InChIKey: CYDVFWXIUURXJS-UHFFFAOYSA-N

Properties

• Density: 1.707g/cm³ (Cal.)
• Boiling point: 498.361°C at 760 mmHg (Cal.)
• Flash point: 255.2°C (Cal.)