(2E)-4-[(2,6-Dimethyl-4-pyrimidinyl)amino]-4-oxo-2-butenoic acid
[CAS# 797781-10-3]

Identification

• Name: (2E)-4-[(2,6-Dimethyl-4-pyrimidinyl)amino]-4-oxo-2-butenoic acid
• Synonyms: (E)-3-(2,6-Dimethyl-pyrimidin-4-ylcarbamoyl)-acrylic acid; (E)-4-((2,6-dimethylpyrimidin-4-yl)amino)-4-oxobut-2-enoic acid; BAS 09084706
• Molecular Formula: C₁₀H₁₁N₃O₃
• Molecular Weight: 221.21
• CAS Registry Number: 797781-10-3
• SMILES: O=C(O)\C=C\C(=O)Nc1nc(nc(c1)C)C
• InChI: 1S/C10H11N3O3/c1-6-5-8(12-7(2)11-6)13-9(14)3-4-10(15)16/h3-5H,1-2H3,(H,15,16)(H,11,12,13,14)/b4-3+
• InChIKey: XUVQEPJUVMYGOK-ONEGZZNKSA-N

Properties

• Density: 1.359g/cm³ (Cal.)
• Boiling point: 477.115°C at 760 mmHg (Cal.)
• Flash point: 242.351°C (Cal.)
• Refractive index: 1.621 (Cal.)