≥98% 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 | COCC(C(=O)NCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2 |
|---|---|
| IUPAC Name | benzyl N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]carbamate |
| InChIKey | BLCQPSZZLKONNI-QGZVFWFLSA-N |
| INCHI | 1S/C19H22N2O4/c1-24-14-17(18(22)20-12-15-8-4-2-5-9-15)21-19(23)25-13-16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3,(H,20,22)(H,21,23)/t17-/m1/s1 |
| Isomeric SMILES | COC[C@H](C(=O)NCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2 |
| Alternate CAS | 196601-68-0 |
| PubChem CID | 15453658 |
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 - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid amides |
| Alternative Parents | Benzyloxycarbonyls Carbamate esters Secondary carboxylic acid amides Dialkyl ethers Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alpha-amino acid amide - Benzyloxycarbonyl - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Carboxamide group - Secondary carboxylic acid amide - Dialkyl ether - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. |
| External Descriptors | Not available |
| Molecular Weight | 342.400 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 9 |
| Exact Mass | 342.158 Da |
| Monoisotopic Mass | 342.158 Da |
| Topological Polar Surface Area | 76.700 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 404.000 |
| 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 |
![Phenylmethyl N-[(1R)-1-(methoxymethyl)-2-oxo-2-[(phenylmethyl)amino]ethyl]carbamate - ≥98% , CAS No.196601-68-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)