AC1NRD9N
(5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl 5-(benzylsulfanylmethyl)furan-2-carboxylate
Also Known As: (5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl 5-(benzylsulfanylmethyl)furan-2-carboxylate|1-[({5-[(Benzylsulfanyl)methyl]furan-2-carbonyl}oxy)methyl]-5-methyloctahydro-2H-quinolizin-5-ium
CAS: 4561-61-9
| Molecular Formula | C24H32NO3S+ |
|---|---|
| Molecular Weight | 414.2103 g/mol |
| LogP | 5.2789 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.2103 |
| Monoisotopic Mass | 414.2103 |
| Heavy Atoms | 29 |
| Complexity | 801.4669 |
Chemical Identifiers
| CAS Number | 4561-61-9 |
|---|---|
| SMILES | C[N+]12CCCCC1C(CCC2)COC(=O)C3=CC=C(O3)CSCC4=CC=CC=C4 |
Product Overview
AC1NRD9N (CAS 4561-61-9), with molecular formula C24H32NO3S+ and molecular weight 414.2103 g/mol. IUPAC: (5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl 5-(benzylsulfanylmethyl)furan-2-carboxylate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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