AC1Q6BML structure

AC1Q6BML

3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane;2-methoxyethanol

Also Known As: (C15-H22-N2-O2.C15-H16-O2.C10-H22-N2.(C3H6-O)mult-H2-O)x-|3-(aminomethyl)-3,5,5-trimethyl-cyclohexan-1-amine; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane; 2-methoxyethanol|3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane; 2-methoxyethanol|3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane;2-methoxyethanol|Phenol, 4,4'-(1-methylethylidene)bis-, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, .alpha.-hydro-.omega.-hydroxypoly[oxy(methyl-1,2-ethanediyl)] and 1,1'-methylenebis[4-isocyanatocyclohexane]|Phenol, 4,4'-(1-methylethylidene)bis-, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, ?-hydro-?-hydroxypoly[ oxy(methyl-1,2-ethanediyl)] and 1,1'-methylenebis[4-isocyanatocyclohexane]|Phenol, 4,4'-(1-methylethylidene)bis-, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, alpha-hydro-omega-hydroxypoly(oxy(methyl-1,2-ethanediyl)) and 1,1'-methylenebis(4-isocyanatocyclohexane)|Phenol, 4,4-(1-methylethylidene)bis-, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, alpha-hydro-omega-hydroxypoly(oxy(methyl-1,2-ethanediyl)) and 1,1-methylenebis(4-isocyanatocyclohexane)|Polypropylene glycol, bisphenol A, 4,4'-methylenebis(cyclohexyl isocyanate) and isophorone diamine polymer|Polypropylene glycol, polymer with bisphenol A, 4,4'-methylenebis(cyclohexyl isocyanate) and isophorone diamine

CAS: 4239-67-2
Molecular Formula C43H68N4O6
Molecular Weight 736.5139 g/mol
LogP 7.7033
Topological Polar Surface Area 181.0 Ų
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 10
Rotatable Bonds 9
Exact Mass 736.5139
Monoisotopic Mass 736.5139
Heavy Atoms 53
Complexity 720.0

Chemical Identifiers

CAS Number 4239-67-2
SMILES CC1(CC(CC(C1)(C)CN)N)C.CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.COCCO.C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O
InChIKey YRFUKWRNCZIXQF-UHFFFAOYSA-N

Product Overview

AC1Q6BML (CAS 4239-67-2), with molecular formula C43H68N4O6 and molecular weight 736.5139 g/mol. IUPAC: 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane;2-methoxyethanol.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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