≥95% 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 | 504768414 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504768414 |
| Canonical Smiles | CC(C)C(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])N.Cl |
| IUPAC Name | (2S)-2-amino-3-methyl-N-(4-nitrophenyl)butanamide;hydrochloride |
| InChIKey | BGTMFJBVZIWWCC-PPHPATTJSA-N |
| INCHI | 1S/C11H15N3O3.ClH/c1-7(2)10(12)11(15)13-8-3-5-9(6-4-8)14(16)17;/h3-7,10H,12H2,1-2H3,(H,13,15);1H/t10-;/m0./s1 |
| Isomeric SMILES | CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])N.Cl |
| PubChem CID | 16220096 |
| Molecular Weight | 273.72 |
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 | Valine and derivatives |
| Alternative Parents | Alpha amino acid amides Anilides Nitrobenzenes Nitroaromatic compounds N-arylamides Fatty amides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic zwitterions Organopnictogen compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Valine or derivatives - Alpha-amino acid amide - Nitrobenzene - Anilide - Nitroaromatic compound - N-arylamide - Monocyclic benzene moiety - Fatty amide - Benzenoid - Fatty acyl - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Primary aliphatic amine - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine 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 |
|---|---|---|---|
 J2127581 | Certificate of Analysis | Aug 13, 2024 | B301398 |
| J2127582 | Certificate of Analysis | Aug 13, 2024 | B301398 |
| J2127583 | Certificate of Analysis | Aug 13, 2024 | B301398 |
| J2127658 | Certificate of Analysis | Aug 13, 2024 | B301398 |
| Molecular Weight | 273.710 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 273.088 Da |
| Monoisotopic Mass | 273.088 Da |
| Topological Polar Surface Area | 101.000 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 280.000 |
| 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 |
