RefChem:318691
[2,2-dimethyl-3-(3-methyl-2-phenylpentanoyl)oxypropyl]-trimethylazanium bromide
Also Known As: AC1L1PNM|RefChem:318691|C 4286|HCFPYCTUHPARQY-UHFFFAOYSA-M|1-Propanaminium, 2,2-dimethyl-3-((3-methyl-2-phenylvaleryl)oxy)-N,N,N-trimethyl-, bromide|Ammonium, (2,2-dimethyl-3-hydroxypropyl)trimethyl-, bromide, 3-methyl-2-phenylvalarate|(3-Hydroxy-2,2-dimethylpropyl)trimethylammonium bromide, 3-methyl-2-phenylvalerate|[2,2-dimethyl-3-(3-methyl-2-phenylpentanoyl)oxypropyl]-trimethylazanium;bromide|[2,2-dimethyl-3-(3-methyl-2-phenylpentanoyl)oxypropyl]-trimethylazanium bromide|[2,2-dimethyl-3-(3-methyl-2-phenylpentanoyl)oxypropyl]-trimethylazanium,bromide|N,N,N,2,2-pentamethyl-3-[(3-methyl-2-phenylpentanoyl)oxy]propan-1-aminium bromide
| Molecular Formula | C20H34BrNO2 |
|---|---|
| Molecular Weight | 399.17728 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.17728 |
| Heavy Atoms | 24 |
| Complexity | 494.1 |
Chemical Identifiers
| CAS Number | 101699-48-3 |
|---|---|
| SMILES | CCC(C)C(C1=CC=CC=C1)C(=O)OCC(C)(C)C[N+](C)(C)C.[Br-] |
Product Overview
RefChem:318691 (CAS 101699-48-3), with molecular formula C20H34BrNO2 and molecular weight 399.17728 g/mol. IUPAC: [2,2-dimethyl-3-(3-methyl-2-phenylpentanoyl)oxypropyl]-trimethylazanium bromide.
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