≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
(S)-NIFE is a novel chiral derivatizing agent for amino acid analysis by HPLC. (S)-NIFE is also used for derivatization of secondary amino acids.
| Pubchem Sid | 504768368 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504768368 |
| Canonical Smiles | COCCOC(=O)C(CC1=CC=CC=C1)NC(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
| IUPAC Name | 2-methoxyethyl (2S)-2-[(4-nitrophenoxy)carbonylamino]-3-phenylpropanoate |
| InChIKey | ZSOUYIBYVUBOGT-KRWDZBQOSA-N |
| INCHI | 1S/C19H20N2O7/c1-26-11-12-27-18(22)17(13-14-5-3-2-4-6-14)20-19(23)28-16-9-7-15(8-10-16)21(24)25/h2-10,17H,11-13H2,1H3,(H,20,23)/t17-/m0/s1 |
| Isomeric SMILES | COCCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
| Molecular Weight | 388.37 |
| Reaxy-Rn | 31177829 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31177829&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 | Alpha amino acid esters Amphetamines and derivatives Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Fatty acid esters Carbamate esters Carboxylic acid esters Organic carbonic acids and derivatives Organic oxoazanium compounds Monocarboxylic acids and derivatives Dialkyl ethers Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organonitrogen compounds Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylalanine or derivatives - Alpha-amino acid ester - Amphetamine or derivatives - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Fatty acid ester - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Carbamic acid ester - Carboxylic acid ester - C-nitro compound - Carbonic acid derivative - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic zwitterion - Organopnictogen compound - Organooxygen 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2304081 | Certificate of Analysis | Jun 15, 2026 | N338036 |
| H2514073 | Certificate of Analysis | Aug 10, 2023 | N338036 |
| I2304082 | Certificate of Analysis | Aug 10, 2023 | N338036 |
| I2304083 | Certificate of Analysis | Aug 10, 2023 | N338036 |
| I2304084 | Certificate of Analysis | Aug 10, 2023 | N338036 |
| Boil Point(°C) | ~534.7° C at 760 mmHg (Predicted) |
|---|---|
| Melt Point(°C) | 179.41° C (Predicted) |
| Molecular Weight | 388.400 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 10 |
| Exact Mass | 388.127 Da |
| Monoisotopic Mass | 388.127 Da |
| Topological Polar Surface Area | 120.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 509.000 |
| 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 |
| 1. Chi Yan, Xingyu Chen, Wenqing Gao, Chunlan Tang, Liwen Du, Chengyi Xie, Feng Xu, Keqi Tang, Jiancheng Yu. (2025) Chiral Derivatization Enables High-Resolution Ion Mobility Spectrometry of 30 Amino Acid Enantiomers. ANALYTICAL CHEMISTRY, [PMID:41451537] [10.1021/acs.analchem.5c06382] |
