Determine the necessary mass, volume, or concentration for preparing a solution.
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analytical standard, Moligand™, ≥99% Analytical standard,Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Argon charged Ships Normal 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 42 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504752029 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752029 |
| Canonical Smiles | C[N+](C)(C)C[C@H](O)CC([O-])=O |
| IUPAC Name | (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate |
| InChIKey | PHIQHXFUZVPYII-ZCFIWIBFSA-N |
| INCHI | 1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1 |
| Isomeric SMILES | C[N+](C)(C)C[C@@H](CC(=O)[O-])O |
| WGK Germany | 3 |
| RTECS | BP2980000 |
| Molecular Weight | 161.2 |
| Beilstein | 4292315 |
| Reaxy-Rn | 4292315 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4292315&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 nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Quaternary ammonium salts |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Carnitines |
| Alternative Parents | Short-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives Fatty acids and conjugates Tetraalkylammonium salts Secondary alcohols Carboxylic acid salts 1,2-aminoalcohols Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Carnitine - Beta-hydroxy acid - Short-chain hydroxy acid - Fatty acid - Hydroxy acid - Tetraalkylammonium salt - 1,2-aminoalcohol - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Amine - Alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as carnitines. These are organic compounds containing the quaternary ammonium compound carnitine. |
| External Descriptors | carnitine |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jun 10, 2025 | C105424 | |
| Certificate of Analysis | Jul 29, 2024 | C105424 | |
| Certificate of Analysis | May 11, 2023 | C105424 | |
| Certificate of Analysis | Oct 10, 2022 | C105424 |
| Sensitivity | Moisture sensitive |
|---|---|
| Specific Rotation[α] | -32 ° (C=1, H2O) |
| Melt Point(°C) | 190°C |
| Molecular Weight | 161.200 g/mol |
| XLogP3 | -0.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 161.105 Da |
| Monoisotopic Mass | 161.105 Da |
| Topological Polar Surface Area | 60.400 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 134.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 1 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Analytical standard grade guide → View Moligand™ grade guide →