≥98% 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=CC(=CC=C2)Cl)C(=O)O.Cl |
|---|---|
| IUPAC Name | (2R)-2-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride |
| InChIKey | PYMQPNPTFZYFAC-UTONKHPSSA-N |
| INCHI | 1S/C12H14ClNO2.ClH/c13-10-4-1-3-9(7-10)8-12(11(15)16)5-2-6-14-12;/h1,3-4,7,14H,2,5-6,8H2,(H,15,16);1H/t12-;/m1./s1 |
| Isómeros SMILES | C1C[C@@](NC1)(CC2=CC(=CC=C2)Cl)C(=O)O.Cl |
| CAS alternativo | 637020-80-5 |
| PubChem CID | 2761836 |
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 | 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 Aralkylamines Chlorobenzenes Aryl chlorides Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Dialkylamines Carbonyl compounds Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-phenylpropanoic-acid - Alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - L-alpha-amino acid - D-alpha-amino acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Halobenzene - Chlorobenzene - Aralkylamine - Monocyclic benzene moiety - Aryl chloride - Aryl halide - Benzenoid - Pyrrolidine - Amino acid or derivatives - Amino acid - Monocarboxylic acid or derivatives - Azacycle - Secondary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Secondary amine - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - 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 | 276.160 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 275.048 Da |
| Monoisotopic Mass | 275.048 Da |
| Topological Polar Surface Area | 49.300 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 272.000 |
| 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 |
