Diethyl 2-[4,6-Bis(1,3-Diethoxy-1,3-Dioxopropan-2-Ylidene)-1,3,5-Triazinan-2-Ylidene]Propanedioate
[CAS# 39945-18-1]

Identification

• Name: Diethyl 2-[4,6-Bis(1,3-Diethoxy-1,3-Dioxopropan-2-Ylidene)-1,3,5-Triazinan-2-Ylidene]Propanedioate
• Synonyms: Diethyl 2-[4,6-Bis(2-Ethoxy-1-Ethoxycarbonyl-2-Oxo-Ethylidene)-1,3,5-Triazinan-2-Ylidene]Propanedioate; 2-[4,6-Bis(2-Ethoxy-1-Ethoxycarbonyl-2-Oxoethylidene)-1,3,5-Triazinan-2-Ylidene]Propanedioic Acid Diethyl Ester; 2-[4,6-Bis(1-Carbethoxy-2-Ethoxy-2-Keto-Ethylidene)-1,3,5-Triazinan-2-Ylidene]Malonic Acid Diethyl Ester
• Molecular Formula: C₂₄H₃₃N₃O₁₂
• Molecular Weight: 555.54
• CAS Registry Number: 39945-18-1
• SMILES: C(OC(C(=C1NC(=C(C(=O)OCC)C(=O)OCC)NC(N1)=C(C(=O)OCC)C(=O)OCC)C(=O)OCC)=O)C
• InChI: 1S/C24H33N3O12/c1-7-34-19(28)13(20(29)35-8-2)16-25-17(14(21(30)36-9-3)22(31)37-10-4)27-18(26-16)15(23(32)38-11-5)24(33)39-12-6/h25-27H,7-12H2,1-6H3
• InChIKey: CXLPQHRVFUIUIX-UHFFFAOYSA-N

Properties

• Density: 1.265g/cm³ (Cal.)
• Boiling point: 561.849°C at 760 mmHg (Cal.)
• Flash point: 293.596°C (Cal.)