AC1O53TL structure

AC1O53TL

[4-[5-[4-[dimethyl(prop-2-enyl)azaniumyl]phenyl]-3-oxopentyl]phenyl]-dimethyl-prop-2-enylazanium diiodide

Also Known As: 1,5-Bis(4-(allyldimethylammonio)phenyl)pentan-3-one diiodide|Benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(N,N-dimethyl-N-2-propenyl-, diiodide|4,4'-(3-Oxopentane-1,5-diyl)bis[N,N-dimethyl-N-(prop-2-en-1-yl)anilinium] diiodide|Benzenaminium,4,4'-(3-oxo-1,5-pentanediyl)bis(N,N-dimethyl-N-2-propenyl-,diiodide|[4-[5-[4-(dimethyl-prop-2-enyl-ammonio)phenyl]-3-oxo-pentyl]phenyl]-dimethyl-prop-2-enyl-azanium diiodide|[4-[5-[4-[dimethyl(prop-2-enyl)azaniumyl]phenyl]-3-oxopentyl]phenyl]-dimethyl-prop-2-enylazanium diiodide|[4-[5-[4-[dimethyl(prop-2-enyl)azaniumyl]phenyl]-3-oxopentyl]phenyl]-dimethyl-prop-2-enylazanium,diiodide

CAS: 40957-97-9
Molecular Formula C27H38I2N2O
Molecular Weight 660.10736 g/mol
LogP -0.6651
Topological Polar Surface Area 17.07 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
Rotatable Bonds 12
Exact Mass 660.10736
Monoisotopic Mass 660.10736
Heavy Atoms 32
Complexity 784.73004

Chemical Identifiers

CAS Number 40957-97-9
SMILES C[N+](C)(CC=C)C1=CC=C(C=C1)CCC(=O)CCC2=CC=C(C=C2)[N+](C)(C)CC=C.[I-].[I-]

Product Overview

AC1O53TL (CAS 40957-97-9), with molecular formula C27H38I2N2O and molecular weight 660.10736 g/mol. IUPAC: [4-[5-[4-[dimethyl(prop-2-enyl)azaniumyl]phenyl]-3-oxopentyl]phenyl]-dimethyl-prop-2-enylazanium diiodide.

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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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