3-Amino-3-[2-(3,5-dimethoxyphenyl)-5-pyrimidinyl]propanoic acid
[CAS# 928713-68-2]

Identification

• Name: 3-Amino-3-[2-(3,5-dimethoxyphenyl)-5-pyrimidinyl]propanoic acid
• Molecular Formula: C₁₅H₁₇N₃O₄
• Molecular Weight: 303.31
• CAS Registry Number: 928713-68-2
• SMILES: COc1cc(cc(c1)OC)c2ncc(cn2)C(CC(=O)O)N
• InChI: 1S/C15H17N3O4/c1-21-11-3-9(4-12(5-11)22-2)15-17-7-10(8-18-15)13(16)6-14(19)20/h3-5,7-8,13H,6,16H2,1-2H3,(H,19,20)
• InChIKey: PVQWLGKROXREAX-UHFFFAOYSA-N

Properties

• Density: 1.277g/cm³ (Cal.)
• Boiling point: 455.986°C at 760 mmHg (Cal.)
• Flash point: 229.572°C (Cal.)
• Refractive index: 1.586 (Cal.)