RefChem:339947
[(3R)-3-(N-benzoyl-2-methoxyanilino)-4-carboxybutyl]-trimethylazanium iodide
Also Known As: 2-(3-(Benzoyl(2-methoxyphenyl)amino)-1-oxopropoxy)-N,N,N-trimethylethanaminium iodide|Ethanaminium, 2-(3-(benzoyl(2-methoxyphenyl)amino)-1-oxopropoxy)-N,N,N-trimethyl-, iodide|[(3R)-3-(N-benzoyl-2-methoxyanilino)-5-hydroxy-5-oxopentyl]-trimethylazanium iodide
CAS: 79565-86-9
| Molecular Formula | C22H29IN2O4 |
|---|---|
| Molecular Weight | 512.1172 g/mol |
| LogP | 0.2856 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 512.1172 |
| Monoisotopic Mass | 512.1172 |
| Heavy Atoms | 29 |
| Complexity | 805.9596 |
Chemical Identifiers
| CAS Number | 79565-86-9 |
|---|---|
| SMILES | C[N+](C)(C)CC[C@H](CC(=O)O)N(C1=CC=CC=C1OC)C(=O)C2=CC=CC=C2.[I-] |
Product Overview
RefChem:339947 (CAS 79565-86-9), with molecular formula C22H29IN2O4 and molecular weight 512.1172 g/mol. IUPAC: [(3R)-3-(N-benzoyl-2-methoxyanilino)-4-carboxybutyl]-trimethylazanium iodide.
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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