Moligand™,≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
| Canonical Smiles | CC(C)(CO)C(C(=O)NCCC(=O)CC1=CC=CC=C1)O |
|---|---|
| IUPAC Name | (2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxo-4-phenylbutyl)butanamide |
| InChIKey | PTVUGLNOPRZQEY-AWEZNQCLSA-N |
| INCHI | 1S/C16H23NO4/c1-16(2,11-18)14(20)15(21)17-9-8-13(19)10-12-6-4-3-5-7-12/h3-7,14,18,20H,8-11H2,1-2H3,(H,17,21)/t14-/m0/s1 |
| Isomeric SMILES | CC(C)(CO)[C@H](C(=O)NCCC(=O)CC1=CC=CC=C1)O |
| PubChem CID | 54754611 |
| Molecular Weight | 293.36 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylbutylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylbutylamines |
| Alternative Parents | N-acyl amines Monosaccharides Secondary carboxylic acid amides Secondary alcohols Ketones Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylbutylamine - Fatty amide - Monosaccharide - N-acyl-amine - Fatty acyl - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Ketone - Carboxylic acid derivative - Primary alcohol - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine. |
| External Descriptors | Not available |
| Molecular Weight | 293.360 g/mol |
|---|---|
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 293.163 Da |
| Monoisotopic Mass | 293.163 Da |
| Topological Polar Surface Area | 86.600 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 348.000 |
| 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 |
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