Determine the necessary mass, volume, or concentration for preparing a solution.
≥98%(N) 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.
| Pubchem Sid | 488201034 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488201034 |
| Sonrisas canónicas | C1=CC=C(C=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)N.Cl |
| IUPAC Name | benzyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride |
| InChIKey | DOKDMGOWZOTZRA-PKLMIRHRSA-N |
| INCHI | 1S/C18H18N2O2.ClH/c19-16(18(21)22-12-13-6-2-1-3-7-13)10-14-11-20-17-9-5-4-8-15(14)17;/h1-9,11,16,20H,10,12,19H2;1H/t16-;/m1./s1 |
| Isómeros SMILES | C1=CC=C(C=C1)COC(=O)[C@@H](CC2=CNC3=CC=CC=C32)N.Cl |
| Peso molecular | 330.81 |
| Reaxy-Rn | 34840866 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34840866&ln= |
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 |
| Clase | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid esters |
| Alternative Parents | Indolyl carboxylic acids and derivatives Benzyloxycarbonyls 3-alkylindoles Fatty acid esters Aralkylamines Substituted pyrroles Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid ester - Indolyl carboxylic acid derivative - Benzyloxycarbonyl - 3-alkylindole - Indole - Indole or derivatives - Fatty acid ester - Aralkylamine - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Fatty acyl - Pyrrole - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Primary amine - Carbonyl group - Organic oxygen compound - Hydrochloride - Amine - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Mar 04, 2025 | S135591 | |
| Certificate of Analysis | Mar 04, 2025 | S135591 | |
| Certificate of Analysis | Mar 04, 2025 | S135591 | |
| Certificate of Analysis | Mar 04, 2025 | S135591 | |
| Certificate of Analysis | Mar 04, 2025 | S135591 | |
| Certificate of Analysis | Mar 04, 2025 | S135591 | |
| Certificate of Analysis | Jan 11, 2023 | S135591 |
| Rotación específica [α] | -32° (C=1,DMF) |
|---|---|
| Punto de fusión (°C) | 215°C(lit.) |
| Peso molecular | 330.800 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 330.114 Da |
| Monoisotopic Mass | 330.114 Da |
| Topological Polar Surface Area | 68.100 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 368.000 |
| 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 |