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Moligand™, ≥98%,≥98 atom% D Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| Sourires canoniques | C[N+](C)(C)CC(CC(=O)O)O.[Cl-] |
|---|---|
| IUPAC Name | [(2R)-3-carboxy-2-hydroxypropyl]-dimethyl-(trideuteriomethyl)azanium;chloride |
| InChIKey | JXXCENBLGFBQJM-QKBJTWEASA-N |
| INCHI | 1S/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/t6-;/m1./s1/i1D3; |
| Isomères SMILES | [2H]C([2H])([2H])[N+](C)(C)C[C@@H](CC(=O)O)O.[Cl-] |
| CAS alternatif | 6645-46-1(Unlabelled) |
| Poids moléculaire | 200.68 |
| Reaxy-Rn | 4163212 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4163212&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 |
| Classe | Hydroxy acids and derivatives |
| Subclass | Beta hydroxy acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Beta hydroxy acids and derivatives |
| Alternative Parents | Short-chain hydroxy acids and derivatives Fatty acids and conjugates Tetraalkylammonium salts Secondary alcohols 1,2-aminoalcohols Monocarboxylic acids and derivatives Carboxylic acids Organic zwitterions Organic oxides Organic chloride salts Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Beta-hydroxy acid - Short-chain hydroxy acid - Fatty acid - Quaternary ammonium salt - Tetraalkylammonium salt - 1,2-aminoalcohol - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alcohol - Organic oxygen compound - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic salt - Organic oxide - Organic chloride salt - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. |
| External Descriptors | Not available |
| Solubilité | H2O : 250 mg/mL (1245.76 mM; Need ultrasonic) |
|---|---|
| Sensibilité | Moisture sensitive |
| Poids moléculaire | 200.680 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 200.101 Da |
| Monoisotopic Mass | 200.101 Da |
| Topological Polar Surface Area | 57.500 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 139.000 |
| Isotope Atom Count | 3 |
| 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 | 2 |
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