Tris(2-Carboxyethyl) Isocyanurate
[CAS# 2904-41-8]

Identification

• Name: Tris(2-Carboxyethyl) Isocyanurate
• Synonyms: 3-[3,5-Bis(2-Carboxyethyl)-2,4,6-Triketo-1,3,5-Triazinan-1-Yl]Propionic Acid; Oprea1_280444; 3-[3,5-Bis-(2-Carboxy-Ethyl)-2,4,6-Trioxo-[1,3,5]Triazinan-1-Yl]-Propionic Acid
• Molecular Formula: C₁₂H₁₅N₃O₉
• Molecular Weight: 345.27
• CAS Registry Number: 2904-41-8
• EINECS: 220-803-1
• SMILES: C(N1C(N(C(=O)N(C1=O)CCC(O)=O)CCC(O)=O)=O)CC(O)=O
• InChI: 1S/C12H15N3O9/c16-7(17)1-4-13-10(22)14(5-2-8(18)19)12(24)15(11(13)23)6-3-9(20)21/h1-6H2,(H,16,17)(H,18,19)(H,20,21)
• InChIKey: HENCHDCLZDQGIQ-UHFFFAOYSA-N

Properties

• Density: 1.604g/cm³ (Cal.)
• Melting point: 228°C (Expl.)
• Boiling point: 694.083°C at 760 mmHg (Cal.)
• Flash point: 373.568°C (Cal.)

References

• (1): Fangna Dai, Di Sun, Wenming Sun, Yun-Qi Liu and Daofeng Sun. Conformation variation of tris(2-carboxyethyl)isocyanuric acid induced by cocrystallized N-heterocyclic organic molecules, CrystEngComm, 2012, 14, 1376.