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
| 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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