≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Conservar a 2-8°C,Protegido de la luz,Cargado con argón Ships Hielo húmedo 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 | COC(=O)C1CN(CCN1)C(=O)OCC2=CC=CC=C2 |
|---|---|
| IUPAC Name | 1-O-benzyl 3-O-methyl (3S)-piperazine-1,3-dicarboxylate |
| InChIKey | FYKXWBBQYZXPFB-LBPRGKRZSA-N |
| INCHI | 1S/C14H18N2O4/c1-19-13(17)12-9-16(8-7-15-12)14(18)20-10-11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3/t12-/m0/s1 |
| Isómeros SMILES | COC(=O)[C@@H]1CN(CCN1)C(=O)OCC2=CC=CC=C2 |
| Peso molecular | 278.30 |
| Reaxy-Rn | 11260812 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11260812&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 | Benzyloxycarbonyls Piperazine carboxylic acids Methyl esters Carbamate esters Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alpha-amino acid ester - Benzyloxycarbonyl - Piperazine-1-carboxylic acid - Piperazine-2-carboxylic acid - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Carbamic acid ester - Methyl ester - Carboxylic acid ester - Secondary amine - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic 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 |
| Sensibilidad | Light sensitive |
|---|---|
| Punto de ebullición (°C) | 406.5°C at 760 mmHg |
| Peso molecular | 278.300 g/mol |
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 278.127 Da |
| Monoisotopic Mass | 278.127 Da |
| Topological Polar Surface Area | 67.900 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 342.000 |
| 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 |
