AC1L56V2

3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane

Also Known As: Adipic acid, 1,6-hexanediol, isophorone diisocyanate, isophoronediamine polymer|(C12-H18-N2-O2.C10-H22-N2.C6-H14-O2.C6-H10-O4)x-|Hexanedioic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 1,6-hexanediol and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane|3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine; hexanedioic acid; hexane-1,6-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane|Hexanedioic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 1,6-hexanediol and 5-isocyanato-1-(isocyanatomethyl) -1,3,3-trimethylcyclohexane

Molecular Formula	C34H64N4O8
Molecular Weight	656.4724 g/mol
LogP	4.9792
Topological Polar Surface Area	226.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	12
Rotatable Bonds	14
Exact Mass	656.4724
Monoisotopic Mass	656.4724
Heavy Atoms	46
Complexity	662.0

Chemical Identifiers

CAS Number	52004-58-7
SMILES	CC1(CC(CC(C1)(C)CN)N)C.CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O
InChIKey	CJCPABRMBYUAQN-UHFFFAOYSA-N