Tral
1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol;methyl sulfate
Also Known As: Hexocyclium metilsulfate|Tral|Hexocyclium methylsulfate|Traline|HEXOCYCLIUM|Hexocyclium methyl sulfate|Oxoamyl salicylate|Hexocyclum|Hexocyclium methylsulphate|Hexocyclium (VAN)|Hexocyclium methosulfate|Hexocyclii metilsulfas|Hexacyclium methyl sulfate|Metilsulfato de hexociclo|Metilsulfate d'hexocyclium|Hexocyclium metilsulphate|Hexocyclium (tral)|hexocyclium (cation)|Hexocycliummetilsulfat|hexocycliummetilsulfate|Tral (TN)|Hexocyclium metilsulfate [INN]|Hexocyclium (methylsulfate)|AB 803|Hexocyclii metilsulfas [INN-Latin]|EINECS 204-097-2|Hexocyclium metilsulfate (INN)|Metilsulfate d'hexocyclium [INN-French]|Metilsulfato de hexociclo [INN-Spanish]
| Molecular Formula | C21H36N2O5S |
|---|---|
| Molecular Weight | 428.2345 g/mol |
| LogP | 1.94 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.2345 |
| Heavy Atoms | 29 |
| Complexity | 709.8 |
Chemical Identifiers
| CAS Number | 115-63-9 |
|---|---|
| SMILES | C[N+]1(CCN(CC1)CC(C2CCCCC2)(C3=CC=CC=C3)O)C.COS(=O)(=O)[O-] |
Product Overview
Tral (CAS 115-63-9), with molecular formula C21H36N2O5S and molecular weight 428.2345 g/mol. IUPAC: 1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol;methyl sulfate.
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