≥97% 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 | C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)N.Cl |
|---|---|
| IUPAC Name | (3R)-3-amino-3-(1,3-benzodioxol-5-yl)propanoic acid;hydrochloride |
| InChIKey | LDMXUXCAMZBRKT-OGFXRTJISA-N |
| INCHI | 1S/C10H11NO4.ClH/c11-7(4-10(12)13)6-1-2-8-9(3-6)15-5-14-8;/h1-3,7H,4-5,11H2,(H,12,13);1H/t7-;/m1./s1 |
| Isomeric SMILES | C1OC2=C(O1)C=C(C=C2)[C@@H](CC(=O)O)N.Cl |
| PubChem CID | 69886776 |
| Molecular Weight | 245.66 |
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 | Benzodioxoles Aralkylamines Benzenoids Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Acetals Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Beta amino acid or derivatives - Benzodioxole - Aralkylamine - Benzenoid - Amino acid - Acetal - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - 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 | 245.660 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 245.045 Da |
| Monoisotopic Mass | 245.045 Da |
| Topological Polar Surface Area | 81.800 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 246.000 |
| 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 |
![(R)-3-Amino-3-(benzo[d][1,3]dioxol-5-yl)propanoic acid hydrochloride - ≥97% , CAS No.464931-62-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)