1,3-Benzenedicarboxylic Acid, Polymer With 5-Amino-1,3,3-Trimethylcyclohexanemethanamine, Hexanedioic Acid, 1,6-Hexanediol And 1,1'-Methylenebis[4-Isocyanatocyclohexane]
[CAS# 68201-91-2]

Identification

• Name: 1,3-Benzenedicarboxylic Acid, Polymer With 5-Amino-1,3,3-Trimethylcyclohexanemethanamine, Hexanedioic Acid, 1,6-Hexanediol And 1,1'-Methylenebis[4-Isocyanatocyclohexane]
• Synonyms: Adipic Acid; 3-(Aminomethyl)-3,5,5-Trimethyl-Cyclohexan-1-Amine; Hexane-1,6-Diol; 1-Isocyanato-4-[(4-Isocyanatocyclohexyl)Methyl]Cyclohexane; Isophthalic Acid; Adipic Acid
• Molecular Formula: C₄₅H₇₄N₄O₁₂
• Molecular Weight: 863.10
• CAS Registry Number: 68201-91-2
• SMILES: O=C=NC2CCC(CC1CCC(CC1)N=C=O)CC2.C3(CC(CC(C3)N)(C)C)(CN)C.C(CCCCCO)O.C(C(=O)O)CCCC(=O)O.O=C(C4=CC=CC(=C4)C(=O)O)O
• InChI: 1S/C15H22N2O2.C10H22N2.C8H6O4.C6H10O4.C6H14O2/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;9-7(10)5-2-1-3-6(4-5)8(11)12;7-5(8)3-1-2-4-6(9)10;7-5-3-1-2-4-6-8/h12-15H,1-9H2;8H,4-7,11-12H2,1-3H3;1-4H,(H,9,10)(H,11,12);1-4H2,(H,7,8)(H,9,10);7-8H,1-6H2
• InChIKey: WJRQNKCFFSEQPS-UHFFFAOYSA-N

Properties

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