Determine the necessary mass, volume, or concentration for preparing a solution.
≥97%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CCC(C)C(=O)OC(CC(=O)[O-])C[N+](C)(C)C |
|---|---|
| IUPAC Name | 3-(2-methylbutanoyloxy)-4-(trimethylazaniumyl)butanoate |
| InChIKey | IHCPDBBYTYJYIL-UHFFFAOYSA-N |
| INCHI | 1S/C12H23NO4/c1-6-9(2)12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3 |
| Isómeros SMILES | CCC(C)C(=O)OC(CC(=O)[O-])C[N+](C)(C)C |
| CAS alternativo | 31023-25-3 |
| Peso molecular | 245.32 |
| Beilstein | 5946881 |
| Reaxy-Rn | 14843080 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14843080&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 | Lipids and lipid-like molecules |
| Clase | Fatty Acyls |
| Subclass | Fatty acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acyl carnitines |
| Alternative Parents | Branched fatty acids Dicarboxylic acids and derivatives Tetraalkylammonium salts Carboxylic acid salts Carboxylic acid esters Carboxylic acids Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Acyl-carnitine - Branched fatty acid - Dicarboxylic acid or derivatives - Tetraalkylammonium salt - Quaternary ammonium salt - Carboxylic acid ester - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Organooxygen compound - Organic salt - Aliphatic acyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as acyl carnitines. These are organic compounds containing a fatty acid with the carboxylic acid attached to carnitine through an ester bond. |
| External Descriptors | C5-acylcarnitine |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Aug 08, 2024 | M464442 | |
| Certificate of Analysis | Aug 08, 2024 | M464442 | |
| Certificate of Analysis | Aug 08, 2024 | M464442 | |
| Certificate of Analysis | Aug 08, 2024 | M464442 |
| Punto de inflamación (°F) | Not applicable |
|---|---|
| Punto de inflamación (°C) | Not applicable |
| Peso molecular | 245.320 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 245.163 Da |
| Monoisotopic Mass | 245.163 Da |
| Topological Polar Surface Area | 66.400 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 265.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |