3-Butyl-5-[3-[1-Butyl-3-(Carboxymethyl)-1,2,3,4-Tetrahydro-6-Hydroxy-2,4-Dioxopyrimidin-5-Yl]Allylidene]Tetrahydro-2,4,6-Trioxo-2H-Pyrimidine-1-Acetic Acid
[CAS# 63059-36-9]

Identification

• Name: 3-Butyl-5-[3-[1-Butyl-3-(Carboxymethyl)-1,2,3,4-Tetrahydro-6-Hydroxy-2,4-Dioxopyrimidin-5-Yl]Allylidene]Tetrahydro-2,4,6-Trioxo-2H-Pyrimidine-1-Acetic Acid
• Synonyms: 2-[3-Butyl-5-[3-[1-Butyl-3-(Carboxymethyl)-2,4,6-Trioxo-Hexahydropyrimidin-5-Yl]Prop-2-Enylidene]-2,4,6-Trioxo-Hexahydropyrimidin-1-Yl]Acetic Acid; 2-[3-Butyl-5-[3-[1-Butyl-3-(Carboxymethyl)-2,4,6-Trioxo-5-Hexahydropyrimidinyl]Prop-2-Enylidene]-2,4,6-Trioxo-1-Hexahydropyrimidinyl]Acetic Acid; 2-[3-Butyl-5-[3-[1-Butyl-3-(Carboxymethyl)-2,4,6-Triketo-Hexahydropyrimidin-5-Yl]Prop-2-Enylidene]-2,4,6-Triketo-Hexahydropyrimidin-1-Yl]Acetic Acid
• Molecular Formula: C₂₃H₂₈N₄O₁₀
• Molecular Weight: 520.50
• CAS Registry Number: 63059-36-9
• EINECS: 263-814-7
• SMILES: C(N2C(/C(=C/C=C/C1C(N(C(=O)N(C1=O)CC(=O)O)CCCC)=O)C(=O)N(C2=O)CCCC)=O)C(=O)O
• InChI: 1S/C23H28N4O10/c1-3-5-10-24-18(32)14(20(34)26(22(24)36)12-16(28)29)8-7-9-15-19(33)25(11-6-4-2)23(37)27(21(15)35)13-17(30)31/h7-9,14H,3-6,10-13H2,1-2H3,(H,28,29)(H,30,31)/b8-7+,15-9+
• InChIKey: BKUASDLXQNZBOS-WESQECEQSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 720.4±70.0°C at 760 mmHg (Cal.)
• Flash point: 389.5±35.7°C (Cal.)