1-(Butanoyloxy)-5-methyloctahydro-2H-quinolizin-5-ium bromide
[(1R,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl] butanoate bromide
Also Known As: trans-1-Hydroxy-5-methyloctahydro-2H-quinolizinium bromide butyrate (ester)|1-(Butanoyloxy)-5-methyloctahydro-2H-quinolizin-5-ium bromide|2H-Quinolizinium, octahydro-1-hydroxy-5-methyl-, bromide, butyrate (ester), (E)-|(1R,9aR)-1-(Butanoyloxy)-5-methyloctahydro-2H-quinolizin-5-ium bromide|[(1R,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl] butanoate bromide
| Molecular Formula | C14H26BrNO2 |
|---|---|
| Molecular Weight | 319.1147 g/mol |
| LogP | -0.5048 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.1147 |
| Monoisotopic Mass | 319.1147 |
| Heavy Atoms | 18 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 17934-75-7 |
|---|---|
| SMILES | CCCC(=O)O[C@@H]1CCC[N+]2([C@@H]1CCCC2)C.[Br-] |
| InChIKey | GDSJSQXJLNHXRK-JAWPBFRBSA-M |
Product Overview
1-(Butanoyloxy)-5-methyloctahydro-2H-quinolizin-5-ium bromide (CAS 17934-75-7), with molecular formula C14H26BrNO2 and molecular weight 319.1147 g/mol. IUPAC: [(1R,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl] butanoate bromide.
1-(Butanoyloxy)-5-methyloctahydro-2H-quinolizin-5-ium bromide is a custom synthesis product. We offer services from milligram to kilogram scale.
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