≥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.
| Canonical Smiles | COC(=O)C(CC1=CC2=C(C=C1)OCO2)CN.Cl |
|---|---|
| IUPAC Name | methyl 2-(aminomethyl)-3-(1,3-benzodioxol-5-yl)propanoate;hydrochloride |
| InChIKey | UUQFSQAIHGUEOH-UHFFFAOYSA-N |
| INCHI | 1S/C12H15NO4.ClH/c1-15-12(14)9(6-13)4-8-2-3-10-11(5-8)17-7-16-10;/h2-3,5,9H,4,6-7,13H2,1H3;1H |
| Isomeric SMILES | COC(=O)C(CC1=CC2=C(C=C1)OCO2)CN.Cl |
| PubChem CID | 45792421 |
| Molecular Weight | 273.71 |
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 |
| 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 | Benzodioxoles Fatty acid esters Aralkylamines Benzenoids Methyl esters Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Beta amino acid or derivatives - Benzodioxole - Fatty acid ester - Aralkylamine - Fatty acyl - Benzenoid - Methyl ester - Carboxylic acid ester - Acetal - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrochloride - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic 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 | 273.710 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 273.077 Da |
| Monoisotopic Mass | 273.077 Da |
| Topological Polar Surface Area | 70.800 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 271.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
