≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | COC1=CC(=C(C=C1)CN2CC(CC2=O)N)OC |
|---|---|
| IUPAC Name | (4S)-4-amino-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one |
| InChIKey | UMQHWTBHVHLMBC-JTQLQIEISA-N |
| INCHI | 1S/C13H18N2O3/c1-17-11-4-3-9(12(6-11)18-2)7-15-8-10(14)5-13(15)16/h3-4,6,10H,5,7-8,14H2,1-2H3/t10-/m0/s1 |
| Isomeric SMILES | COC1=CC(=C(C=C1)CN2C[C@H](CC2=O)N)OC |
| PubChem CID | 91800919 |
| Molecular Weight | 250.3 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives |
| Direct Parent | Beta amino acids and derivatives |
| Alternative Parents | Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Pyrrolidine-2-ones N-alkylpyrrolidines Tertiary carboxylic acid amides Lactams Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Beta amino acid or derivatives - M-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Pyrrolidone - Benzenoid - N-alkylpyrrolidine - 2-pyrrolidone - Pyrrolidine - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Ether - Organoheterocyclic compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. |
| External Descriptors | Not available |
| Molecular Weight | 250.290 g/mol |
|---|---|
| XLogP3 | 0.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 250.132 Da |
| Monoisotopic Mass | 250.132 Da |
| Topological Polar Surface Area | 64.800 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 298.000 |
| 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 |
![(4S)-4-amino-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one - ≥97% , CAS No.1638767-82-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)