≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | C1CC(NC1)(CC2=C(C=C(C=C2)Cl)Cl)C(=O)O.Cl |
|---|---|
| IUPAC Name | (2S)-2-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride |
| InChIKey | FYLXJTRXAWYGGM-YDALLXLXSA-N |
| INCHI | 1S/C12H13Cl2NO2.ClH/c13-9-3-2-8(10(14)6-9)7-12(11(16)17)4-1-5-15-12;/h2-3,6,15H,1,4-5,7H2,(H,16,17);1H/t12-;/m0./s1 |
| Isómeros SMILES | C1C[C@](NC1)(CC2=C(C=C(C=C2)Cl)Cl)C(=O)O.Cl |
| PubChem CID | 45026907 |
| Peso molecular | 310.61 |
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 | Phenylpropanoids and polyketides |
| Clase | Phenylpropanoic acids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanoic acids |
| Alternative Parents | Amphetamines and derivatives L-alpha-amino acids D-alpha-amino acids Pyrrolidine carboxylic acids Dichlorobenzenes Aralkylamines Aryl chlorides Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Dialkylamines Organic oxides Carbonyl compounds Organochlorides Hydrocarbon derivatives Hydrochlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-phenylpropanoic-acid - Alpha-amino acid - Alpha-amino acid or derivatives - D-alpha-amino acid - Amphetamine or derivatives - L-alpha-amino acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - 1,3-dichlorobenzene - Aralkylamine - Halobenzene - Chlorobenzene - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Pyrrolidine - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Secondary amine - Organoheterocyclic compound - Secondary aliphatic amine - Azacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid. |
| External Descriptors | Not available |
| Peso molecular | 310.600 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 309.009 Da |
| Monoisotopic Mass | 309.009 Da |
| Topological Polar Surface Area | 49.300 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 300.000 |
| 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 | 2 |
