Acetyl-seco-hemicholinium-3
2-acetyloxyethyl-[2-[4-[4-[2-[2-acetyloxyethyl(dimethyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium dibromide
Also Known As: acetylseco HC-3|Acetyl-seco-hemicholinium-3|RefChem:109094|AcHc-3(2)|Acetylseco hemicholinium-3-bromide|AC1L1ZT2|CTK1H0636|Pentafluoraethylthiocarbonylfluorid|Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis((2-acetoxyethyl)dimethyl-, dibromide|2-acetyloxyethyl-[2-[4-[4-[(2-acetyloxyethyl-dimethyl-ammonio)carbonylmethyl]phenyl]phenyl]acetyl]-dimethyl-azanium dibromide|2-acetyloxyethyl-[2-[4-[4-[2-[2-acetyloxyethyl(dimethyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium dibromide|2,2'-([1,1'-Biphenyl]-4,4'-diyl)bis{N-[2-(acetyloxy)ethyl]-N,N-dimethylethanamidium} dibromide|2-acetoxyethyl-[2-[4-[4-[2-[2-acetoxyethyl(dimethyl)ammonio]-2-oxo-ethyl]phenyl]phenyl]acetyl]-dimethyl-ammonium dibromide
| Molecular Formula | C28H38Br2N2O6 |
|---|---|
| Molecular Weight | 656.1097 g/mol |
| LogP | -3.22 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 658.1076 |
| Heavy Atoms | 38 |
| Complexity | 996.0 |
Chemical Identifiers
| CAS Number | 40374-51-4 |
|---|---|
| SMILES | CC(=O)OCC[N+](C)(C)C(=O)CC1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)[N+](C)(C)CCOC(=O)C.[Br-].[Br-] |
Product Overview
Acetyl-seco-hemicholinium-3 (CAS 40374-51-4), with molecular formula C28H38Br2N2O6 and molecular weight 656.1097 g/mol. IUPAC: 2-acetyloxyethyl-[2-[4-[4-[2-[2-acetyloxyethyl(dimethyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium dibromide.
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