N,N'-(But-2-yne-1,4-diyl)bis{N-[5-(diethylamino)pentan-2-yl]hexadecanamide} structure

N,N'-(But-2-yne-1,4-diyl)bis{N-[5-(diethylamino)pentan-2-yl]hexadecanamide}

N-[5-(diethylamino)pentan-2-yl]-N-[4-[5-(diethylamino)pentan-2-yl-hexadecanoylamino]but-2-ynyl]hexadecanamide

Also Known As: N,N'-(But-2-yne-1,4-diyl)bis{N-[5-(diethylamino)pentan-2-yl]hexadecanamide}|Hexadecanamide,N'-2-butyne-1,4-diylbis[N-[4-(diethylamino)-1-methylbutyl]-|N-[5-(diethylamino)pentan-2-yl]-N-[4-[5-(diethylamino)pentan-2-yl-hexadecanoylamino]but-2-ynyl]hexadecanamide

CAS: 79692-33-4
Molecular Formula C54H106N4O2
Molecular Weight 842.8316 g/mol
LogP 17.8
Topological Polar Surface Area 47.1 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 44
Exact Mass 842.8316
Monoisotopic Mass 842.8316
Heavy Atoms 60
Complexity 936.0

Chemical Identifiers

CAS Number 79692-33-4
SMILES CCCCCCCCCCCCCCCC(=O)N(CC#CCN(C(C)CCCN(CC)CC)C(=O)CCCCCCCCCCCCCCC)C(C)CCCN(CC)CC
InChIKey ZAWZANLSFGFWMN-UHFFFAOYSA-N

Product Overview

N,N'-(But-2-yne-1,4-diyl)bis{N-[5-(diethylamino)pentan-2-yl]hexadecanamide} (CAS 79692-33-4), with molecular formula C54H106N4O2 and molecular weight 842.8316 g/mol. IUPAC: N-[5-(diethylamino)pentan-2-yl]-N-[4-[5-(diethylamino)pentan-2-yl-hexadecanoylamino]but-2-ynyl]hexadecanamide.

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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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