3-Amino-3-[2-(4-fluorophenyl)-5-pyrimidinyl]propanoic acid
[CAS# 928714-04-9]

Identification

• Name: 3-Amino-3-[2-(4-fluorophenyl)-5-pyrimidinyl]propanoic acid
• Molecular Formula: C₁₃H₁₂FN₃O₂
• Molecular Weight: 261.25
• CAS Registry Number: 928714-04-9
• SMILES: c1cc(ccc1c2ncc(cn2)C(CC(=O)O)N)F
• InChI: 1S/C13H12FN3O2/c14-10-3-1-8(2-4-10)13-16-6-9(7-17-13)11(15)5-12(18)19/h1-4,6-7,11H,5,15H2,(H,18,19)
• InChIKey: DYCOATPQEVTCHJ-UHFFFAOYSA-N

Properties

• Density: 1.348g/cm³ (Cal.)
• Boiling point: 366.298°C at 760 mmHg (Cal.)
• Flash point: 175.331°C (Cal.)
• Refractive index: 1.6 (Cal.)