5-(2-Butenyl)-5-Phenyl-2-Sodiooxy-4,6(1H,5H)-Pyrimidinedione
[CAS# 67050-12-8]

Identification

• Name: 5-(2-Butenyl)-5-Phenyl-2-Sodiooxy-4,6(1H,5H)-Pyrimidinedione
• Synonyms: Sodium 5-[(E)-But-2-Enyl]-4,6-Dioxo-5-Phenyl-Hexahydropyrimidin-2-Olate; Sodium 5-[(E)-But-2-Enyl]-4,6-Dioxo-5-Phenyl-2-Hexahydropyrimidinolate; Sodium 5-[(E)-But-2-Enyl]-4,6-Diketo-5-Phenyl-Hexahydropyrimidin-2-Olate
• Molecular Formula: C₁₄H₁₅N₂NaO₃
• Molecular Weight: 282.27
• CAS Registry Number: 67050-12-8
• SMILES: C2=C(C1(C(=O)NC([O-])NC1=O)C\C=C\C)C=CC=C2.[Na+]
• InChI: 1S/C14H15N2O3.Na/c1-2-3-9-14(10-7-5-4-6-8-10)11(17)15-13(19)16-12(14)18;/h2-8,13H,9H2,1H3,(H,15,17)(H,16,18);/q-1;+1/b3-2+
• InChIKey: IKABKMBMMKEPMI-SQQVDAMQSA-N

Properties

• Boiling point: 587.6°C at 760 mmHg (Cal.)
• Flash point: 309.2°C (Cal.)