2-Oxepanone, Polymer With 2-Aminoethanol, 5-Amino-1,3,3-Trimethylcyclohexanemethanamine, 2-Ethyl-2-(Hydroxymethyl)-1,3-Propanediol, 1,1'-Methylenebis[4-Isocyanatocyclohexane] And 2,2'-Oxybis[Ethanol]
[CAS# 68052-57-3]

Identification

• Name: 2-Oxepanone, Polymer With 2-Aminoethanol, 5-Amino-1,3,3-Trimethylcyclohexanemethanamine, 2-Ethyl-2-(Hydroxymethyl)-1,3-Propanediol, 1,1'-Methylenebis[4-Isocyanatocyclohexane] And 2,2'-Oxybis[Ethanol]
• Synonyms: 1-Isocyanato-4-[(4-Isocyanatocyclohexyl)Methyl]Cyclohexane; Oxepan-2-One; 2-Aminoethanol; 3-(Aminomethyl)-3,5,5-Trimethyl-Cyclohexan-1-Amine; 2-Ethyl-2-(Hydroxymethyl)Propane-1,3-Diol; 2-(2-Hydroxyethoxy)Ethanol
• Molecular Formula: C₄₃H₈₅N₅O₁₁
• Molecular Weight: 848.17
• CAS Registry Number: 68052-57-3
• SMILES: O=C=NC2CCC(CC1CCC(N=C=O)CC1)CC2.NC3CC(CC(C3)(C)C)(CN)C.C(O)C(CO)(CO)CC.C4C(OCCCC4)=O.C(OCCO)CO.C(O)CN
• InChI: 1S/C15H22N2O2.C10H22N2.C6H14O3.C6H10O2.C4H10O3.C2H7NO/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19;1-9(2)4-8(12)5-10(3,6-9)7-11;1-2-6(3-7,4-8)5-9;7-6-4-2-1-3-5-8-6;5-1-3-7-4-2-6;3-1-2-4/h12-15H,1-9H2;8H,4-7,11-12H2,1-3H3;7-9H,2-5H2,1H3;1-5H2;5-6H,1-4H2;4H,1-3H2
• InChIKey: VOCXWVOWTOEEIS-UHFFFAOYSA-N

Properties

• Boiling point: 363.4°C at 760 mmHg (Cal.)
• Flash point: 149.8°C (Cal.)