ethyl 2-[6-[3,5-bis[6-[(2-ethoxycarbonyl-3-oxo-butanoyl)amino]hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexylcarbamoyl]-3-oxo-butanoate
[CAS# 97171-71-6]

Identification

• Name: ethyl 2-[6-[3,5-bis[6-[(2-ethoxycarbonyl-3-oxo-butanoyl)amino]hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexylcarbamoyl]-3-oxo-butanoate
• Synonyms: triethyl 2,2',2''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(hexane-6,1-diyliminocarbonyl)]tris[3-oxobutyrate]
• Molecular Formula: C₄₂H₆₆N₆O₁₅
• Molecular Weight: 895.01
• CAS Registry Number: 97171-71-6
• EINECS: 306-388-0
• SMILES: CC(=O)C(C(=O)OCC)C(=O)NCCCCCCN1C(=O)N(CCCCCCNC(=O)C(C(C)=O)C(=O)OCC)C(=O)N(CCCCCCNC(=O)C(C(C)=O)C(=O)OCC)C1=O
• InChI: 1S/C42H66N6O15/c1-7-61-37(55)31(28(4)49)34(52)43-22-16-10-13-19-25-46-40(58)47(26-20-14-11-17-23-44-35(53)32(29(5)50)38(56)62-8-2)42(60)48(41(46)59)27-21-15-12-18-24-45-36(54)33(30(6)51)39(57)63-9-3/h31-33H,7-27H2,1-6H3,(H,43,52)(H,44,53)(H,45,54)
• InChIKey: TVSYZWNHHXOLFE-UHFFFAOYSA-N

Properties

• Density: 1.198g/cm³ (Cal.)
• Boiling point: 1031.796°C at 760 mmHg (Cal.)
• Flash point: 577.81°C (Cal.)