Adipic acid, 1,6-hexanediol, isophorone diisocyanate, isophoronediamine polymer
[CAS# 52004-58-7]

Identification

• Name: Adipic acid, 1,6-hexanediol, isophorone diisocyanate, isophoronediamine polymer
• Synonyms: Adipic Acid; 3-(Aminomethyl)-3,5,5-Trimethyl-Cyclohexan-1-Amine; Hexane-1,6-Diol; 5-Isocyanato-1-(Isocyanatomethyl)-1,3,3-Trimethyl-Cyclohexane; Adipic Acid; 3-(Aminomethyl)-3,5,5-Trimethyl-1-Cyclohexanamine
• Molecular Formula: C₃₄H₆₄N₄O₈
• Molecular Weight: 656.90
• CAS Registry Number: 52004-58-7
• SMILES: O=C=NCC1(CC(CC(C1)N=C=O)(C)C)C.C(CCCCCO)O.C(C2(CC(CC(C2)N)(C)C)C)N.C(C(=O)O)CCCC(=O)O
• InChI: 1S/C12H18N2O2.C10H22N2.C6H10O4.C6H14O2/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;7-5(8)3-1-2-4-6(9)10;7-5-3-1-2-4-6-8/h10H,4-7H2,1-3H3;8H,4-7,11-12H2,1-3H3;1-4H2,(H,7,8)(H,9,10);7-8H,1-6H2
• InChIKey: CJCPABRMBYUAQN-UHFFFAOYSA-N

Properties

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