Hexanedioic Acid, Polymer With 5-Amino-1,3,3-Trimethylcyclohexane-Methanamine, 2,2-Dimethyl-1,3-Propanediol, 1,2-Ethanediol, 1,6-Hexanediol, 1,3-Isobenzofurandione And 5-Isocyanato-1-(Isocyanatomethyl)-1,3,3-Trimethylcyclohexane
[CAS# 69725-60-6]

Identification

• Name: Hexanedioic Acid, Polymer With 5-Amino-1,3,3-Trimethylcyclohexane-Methanamine, 2,2-Dimethyl-1,3-Propanediol, 1,2-Ethanediol, 1,6-Hexanediol, 1,3-Isobenzofurandione And 5-Isocyanato-1-(Isocyanatomethyl)-1,3,3-Trimethylcyclohexane
• Synonyms: Adipic Acid; 3-(Aminomethyl)-3,5,5-Trimethyl-Cyclohexan-1-Amine; 2,2-Dimethylpropane-1,3-Diol; Ethylene Glycol; Hexane-1,6-Diol; Isobenzofuran-1,3-Dione
• Molecular Formula: C₄₉H₈₆N₄O₁₅
• Molecular Weight: 971.24
• CAS Registry Number: 69725-60-6
• SMILES: O=C=NCC1(CC(CC(C1)N=C=O)(C)C)C.C2(CC(CC(C2)(C)CN)N)(C)C.C3=CC=CC4=C3C(OC4=O)=O.C(CCCCCO)O.C(CO)O.C(C(CO)(C)C)O.C(C(=O)O)CCCC(=O)O
• InChI: 1S/C12H18N2O2.C10H22N2.C8H4O3.C6H10O4.C6H14O2.C5H12O2.C2H6O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15;1-9(2)4-8(12)5-10(3,6-9)7-11;9-7-5-3-1-2-4-6(5)8(10)11-7;7-5(8)3-1-2-4-6(9)10;7-5-3-1-2-4-6-8;1-5(2,3-6)4-7;3-1-2-4/h10H,4-7H2,1-3H3;8H,4-7,11-12H2,1-3H3;1-4H;1-4H2,(H,7,8)(H,9,10);7-8H,1-6H2;6-7H,3-4H2,1-2H3;3-4H,1-2H2
• InChIKey: ILDSSIMTDAKJDD-UHFFFAOYSA-N

Properties

• Boiling point: 286.9°C at 760 mmHg (Cal.)
• Flash point: 116°C (Cal.)