2-(4-Butoxybenzyl)-6-Hydroxy-4-Methyl-5-Pyrimidineacetic Acid
[CAS# 64677-98-1]

Identification

• Name: 2-(4-Butoxybenzyl)-6-Hydroxy-4-Methyl-5-Pyrimidineacetic Acid
• Synonyms: 2-[2-(4-Butoxybenzyl)-4-Keto-6-Methyl-1H-Pyrimidin-5-Yl]Acetic Acid; 2-[2-[(4-Butoxyphenyl)Methyl]-4-Methyl-6-Oxo-3H-Pyrimidin-5-Yl]Ethanoic Acid; 2-(4-Butoxybenzyl)-6-Hydroxy-4-Methyl-5-Pyrimidineacetic Acid
• Molecular Formula: C₁₈H₂₂N₂O₄
• Molecular Weight: 330.38
• CAS Registry Number: 64677-98-1
• SMILES: C2=C(CC1=NC(=O)C(=C(N1)C)CC(=O)O)C=CC(=C2)OCCCC
• InChI: 1S/C18H22N2O4/c1-3-4-9-24-14-7-5-13(6-8-14)10-16-19-12(2)15(11-17(21)22)18(23)20-16/h5-8H,3-4,9-11H2,1-2H3,(H,21,22)(H,19,20,23)
• InChIKey: ZFAMBHXXHCBDIJ-UHFFFAOYSA-N

Properties

• Density: 1.218g/cm³ (Cal.)
• Boiling point: 523.35°C at 760 mmHg (Cal.)
• Flash point: 270.313°C (Cal.)