RefChem:373352
2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-1-[4-[4-[2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]acetyl]phenyl]phenyl]ethanone dibromide
Also Known As: KST-1B1964|Piperidinium, 1,1'-(4,4'-biphenylylenebis(carbonylmethylene))bis(4-hydroxy-1-methyl-, dibromide|1,1'-(4,4'-Biphenylylenebis(carbonylmethylene))bis(4-hydroxy-1-methylpiperidinium bromide)|1,1'-[biphenyl-4,4'-diylbis(2-oxoethane-2,1-diyl)]bis[4-(hydroxymethyl)piperidinium] dibromide|2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-1-[4-[4-[2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]acetyl]phenyl]phenyl]ethanone dibromide
| Molecular Formula | C28H38Br2N2O4 |
|---|---|
| Molecular Weight | 624.1198 g/mol |
| LogP | -5.6986 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 624.1198 |
| Monoisotopic Mass | 624.1198 |
| Heavy Atoms | 36 |
| Complexity | 583.0 |
Chemical Identifiers
| CAS Number | 23342-32-7 |
|---|---|
| SMILES | C1C[NH+](CCC1CO)CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)C[NH+]4CCC(CC4)CO.[Br-].[Br-] |
| InChIKey | VLIXJEPKEWRLEM-UHFFFAOYSA-N |
Product Overview
RefChem:373352 (CAS 23342-32-7), with molecular formula C28H38Br2N2O4 and molecular weight 624.1198 g/mol. IUPAC: 2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-1-[4-[4-[2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]acetyl]phenyl]phenyl]ethanone dibromide.
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