AC1Q1TAT
trimethyl-[[2-[8-[4-[(trimethylazaniumyl)methyl]-1,3-dioxolan-2-yl]octyl]-1,3-dioxolan-4-yl]methyl]azanium diiodide
Also Known As: KST-1A4548|1,3-Dioxolane-4-methanaminium, 2,2'-(1,8-octanediyl)bis(N,N,N-trimethyl-, diiodide|1,8-Bis-(4'-dimethylaminomethyl-1',3'-dioxolanyl-2')octane dimethyl iodide|2,2'-(1,8-Octanediyl)bis(N,N,N-trimethyl-1,3-dioxolane-4-methanamminiumiodide)|(octane-1,8-diyldi-1,3-dioxolane-2,4-diyl)bis(n,n,n-trimethylmethanaminium) diiodide|N,N'-[Octane-1,8-diylbis(1,3-dioxolane-2,4-diylmethylene)]bis(N,N-dimethylmethanaminium) diiodide|N,N'-{Octane-1,8-diylbis[(1,3-dioxolane-2,4-diyl)methylene]}bis(N,N-dimethylmethanaminium) diiodide|trimethyl-[[2-[8-[4-[(trimethylazaniumyl)methyl]-1,3-dioxolan-2-yl]octyl]-1,3-dioxolan-4-yl]methyl]azanium diiodide
| Molecular Formula | C22H46I2N2O4 |
|---|---|
| Molecular Weight | 656.1547 g/mol |
| LogP | -2.9894 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 656.1547 |
| Monoisotopic Mass | 656.1547 |
| Heavy Atoms | 30 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 39757-35-2 |
|---|---|
| SMILES | C[N+](C)(C)CC1COC(O1)CCCCCCCCC2OCC(O2)C[N+](C)(C)C.[I-].[I-] |
| InChIKey | HODHFDMMBMBJBD-UHFFFAOYSA-L |
Product Overview
AC1Q1TAT (CAS 39757-35-2), with molecular formula C22H46I2N2O4 and molecular weight 656.1547 g/mol. IUPAC: trimethyl-[[2-[8-[4-[(trimethylazaniumyl)methyl]-1,3-dioxolan-2-yl]octyl]-1,3-dioxolan-4-yl]methyl]azanium diiodide.
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