Determine the necessary mass, volume, or concentration for preparing a solution.
≥98%(HPLC)(T) 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.
| Canonical Smiles | CC(C)(C)OC(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-].Cl |
|---|---|
| IUPAC Name | tert-butyl N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]carbamate;hydrochloride |
| InChIKey | OUVONNGVXPOXGB-ZOWNYOTGSA-N |
| INCHI | 1S/C17H26N6O5.ClH/c1-17(2,3)28-16(25)22-13(5-4-10-20-15(18)19)14(24)21-11-6-8-12(9-7-11)23(26)27;/h6-9,13H,4-5,10H2,1-3H3,(H,21,24)(H,22,25)(H4,18,19,20);1H/t13-;/m0./s1 |
| Isomeric SMILES | CC(C)(C)OC(=O)N[C@@H](CCCN=C(N)N)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-].Cl |
| PubChem CID | 13502326 |
| Molecular Weight | 430.89 |
| Reaxy-Rn | 4776989 |
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 | Anilides Nitrobenzenes N-arylamides Nitroaromatic compounds Fatty amides Carbamate esters Guanidines Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Organic zwitterions Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alpha-amino acid amide - Nitrobenzene - Anilide - Nitroaromatic compound - N-arylamide - Monocyclic benzene moiety - Fatty amide - Benzenoid - Fatty acyl - Carbamic acid ester - Organic nitro compound - Carboxamide group - Guanidine - C-nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxoazanium - Organic salt - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic zwitterion - Organic nitrogen compound - Carbonyl group - Hydrochloride - Hydrocarbon derivative - 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 |
| Specific Rotation[α] | -12° (C=1,MeOH) |
|---|---|
| Molecular Weight | 430.900 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 430.173 Da |
| Monoisotopic Mass | 430.173 Da |
| Topological Polar Surface Area | 178.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 572.000 |
| 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 |