2-Ethyl-2-[[[[[(5-Isocyanato-1,3,3-Trimethylcyclohexyl)Methyl]Amino]Carbonyl]Oxy]Methyl]Propylene [(5-Isocyanato-1,3,3-Trimethylcyclohexyl)Methyl]Carbamate
[CAS# 68975-82-6]

Identification

• Name: 2-Ethyl-2-[[[[[(5-Isocyanato-1,3,3-Trimethylcyclohexyl)Methyl]Amino]Carbonyl]Oxy]Methyl]Propylene [(5-Isocyanato-1,3,3-Trimethylcyclohexyl)Methyl]Carbamate
• Synonyms: 2,2-Bis[(5-Isocyanato-1,3,3-Trimethyl-Cyclohexyl)Methylcarbamoyloxymethyl]Butyl N-[(5-Isocyanato-1,3,3-Trimethyl-Cyclohexyl)Methyl]Carbamate; N-[(5-Isocyanato-1,3,3-Trimethylcyclohexyl)Methyl]Carbamic Acid 2,2-Bis[[[(5-Isocyanato-1,3,3-Trimethylcyclohexyl)Methylamino]-Oxomethoxy]Methyl]Butyl Ester; N-[(5-Isocyanato-1,3,3-Trimethyl-Cyclohexyl)Methyl]Carbamic Acid 2,2-Bis[(5-Isocyanato-1,3,3-Trimethyl-Cyclohexyl)Methylcarbamoyloxymethyl]Butyl Ester
• Molecular Formula: C₄₂H₆₈N₆O₉
• Molecular Weight: 801.03
• CAS Registry Number: 68975-82-6
• EINECS: 273-480-4
• SMILES: O=C=NC3CC(CC(CNC(OCC(COC(NCC1(CC(CC(C1)N=C=O)(C)C)C)=O)(COC(NCC2(CC(CC(C2)N=C=O)(C)C)C)=O)CC)=O)(C3)C)(C)C
• InChI: 1S/C42H68N6O9/c1-11-42(24-55-33(52)43-21-39(8)15-30(46-27-49)12-36(2,3)18-39,25-56-34(53)44-22-40(9)16-31(47-28-50)13-37(4,5)19-40)26-57-35(54)45-23-41(10)17-32(48-29-51)14-38(6,7)20-41/h30-32H,11-26H2,1-10H3,(H,43,52)(H,44,53)(H,45,54)
• InChIKey: DDLUIVHBBMLRPG-UHFFFAOYSA-N

Properties

• Density: 1.176g/cm³ (Cal.)
• Boiling point: 821.97°C at 760 mmHg (Cal.)
• Flash point: 450.911°C (Cal.)