AC1Q6GWW structure

AC1Q6GWW

4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;azepan-2-one;hexane-1,6-diamine;hexanedioic acid

Also Known As: (C13-H26-N2.C6-H16-N2.C6-H11-N-O.C6-H10-O4)x-|adipic acid; 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine; azepan-2-one; hexane-1,6-diamine|Hexanedioic acid, polymer with hexahydro-2H-azepin-2-one, 1,6-hexanediamine and 4,4'-methylenebis(cyclohexanamine)|Hexanedioic acid, polymer with hexahydro-2H-azepin-2-one, 1,6-hexanediamine and 4,4'-methylenebis[cyclohexanamine]|4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine; azepan-2-one; hexane-1,6-diamine; hexanedioic acid|4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;azepan-2-one;hexane-1,6-diamine;hexanedioic acid|Hexanedioic Acid, Polymer With Hexahydro-2H-Azepin-2-One, Bis(4-Aminocyclohexyl)Methane And 1,6-Hexa

CAS: 999-22-4
Molecular Formula C31H63N5O5
Molecular Weight 585.4829 g/mol
LogP 4.2683
Topological Polar Surface Area 208.0 Ų
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 9
Rotatable Bonds 12
Exact Mass 585.4829
Monoisotopic Mass 585.4829
Heavy Atoms 41
Complexity 393.0

Chemical Identifiers

CAS Number 999-22-4
SMILES C1CCC(=O)NCC1.C1CC(CCC1CC2CCC(CC2)N)N.C(CCCN)CCN.C(CCC(=O)O)CC(=O)O
InChIKey LYRSKWHPYTWGPJ-UHFFFAOYSA-N

Product Overview

AC1Q6GWW (CAS 999-22-4), with molecular formula C31H63N5O5 and molecular weight 585.4829 g/mol. IUPAC: 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;azepan-2-one;hexane-1,6-diamine;hexanedioic acid.

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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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