Cetyltrimethylammonium hydrogensulfate is commonly used as a surfactant for organic transformation in the aqueous medium.
Some of the applications include:
· Rhodium(I)-catalyzed asymmetric hydrogenation of (Z)-methyl-α-acetamidocinnamate.
· Asymmetric palladium-catalyzed alkylation of 1,3-diphenyl-2-propenyl acetate with dimethyl malonate
| Pubchem Sid | 504756666 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756666 |
| Canonical Smiles | CCCCCCCCCCCCCCCC[N+](C)(C)C.OS(=O)(=O)[O-] |
| IUPAC Name | hexadecyl(trimethyl)azanium;hydrogen sulfate |
| InChIKey | UCRJJNVFJGKYQT-UHFFFAOYSA-M |
| INCHI | 1S/C19H42N.H2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-5(2,3)4/h5-19H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1 |
| Isomeric SMILES | CCCCCCCCCCCCCCCC[N+](C)(C)C.OS(=O)(=O)[O-] |
| WGK Germany | 3 |
| Molecular Weight | 381.61 |
| Beilstein | 8398798 |
| Reaxy-Rn | 8398798 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8398798&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Organic sulfuric acids and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Organic sulfuric acids and derivatives |
| Alternative Parents | Tetraalkylammonium salts Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Amines |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Tetraalkylammonium salt - Quaternary ammonium salt - Organic sulfuric acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Amine - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as organic sulfuric acids and derivatives. These are organic compounds containing the sulfuric acid or a derivative thereof. |
| External Descriptors | Not available |
| Solubility | Soluble in Methanol |
|---|---|
| Sensitivity | Hygroscopic |
| Melt Point(°C) | 260 °C |
| Molecular Weight | 381.600 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 15 |
| Exact Mass | 381.291 Da |
| Monoisotopic Mass | 381.291 Da |
| Topological Polar Surface Area | 85.800 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 257.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
| 1. Yu Yongsheng, He Lin, Xu Junjie, Li Jiaming, Jiang Sida, Han Guanghui, Jiang Baojiang, Lei Wenjuan, Yang Weiwei, Hou Yanglong. (2021) A facile solution phase synthesis of directly ordering monodisperse FePt nanoparticles. Nano Research, 15 (1): (446-451). [PMID:] [10.1007/s12274-021-3499-4] |
B2207193