≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | CC(=O)NC(CC1=CC=CC=C1)C(=O)NC |
|---|---|
| IUPAC Name | (2S)-2-acetamido-N-methyl-3-phenylpropanamide |
| InChIKey | RLHSJVFEMKHRDJ-NSHDSACASA-N |
| INCHI | 1S/C12H16N2O2/c1-9(15)14-11(12(16)13-2)8-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,13,16)(H,14,15)/t11-/m0/s1 |
| Isomeric SMILES | CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC |
| Molecular Weight | 220.27 |
| Reaxy-Rn | 2113777 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2113777&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 |
| 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 | Phenylalanine and derivatives |
| Alternative Parents | N-acyl-alpha amino acids and derivatives Alpha amino acid amides Amphetamines and derivatives Fatty amides Acetamides Secondary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Fatty amide - Acetamide - Carboxamide group - Secondary carboxylic acid amide - 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 phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
| Refractive Index | n20D1.53 (Predicted) |
|---|---|
| Boil Point(°C) | ~518.2° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 185.32° C (Predicted) |
| Molecular Weight | 220.270 g/mol |
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 220.121 Da |
| Monoisotopic Mass | 220.121 Da |
| Topological Polar Surface Area | 58.200 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 247.000 |
| 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 |
A2211260