≥95% 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 | CC(C(C)(C)C)NC(=O)C(C(C)(C)C)NCC1=NC=CN1C |
|---|---|
| IUPAC Name | (2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3,3-dimethyl-2-[(1-methylimidazol-2-yl)methylamino]butanamide |
| InChIKey | QOCLPFRRAGRCEM-TZMCWYRMSA-N |
| INCHI | 1S/C17H32N4O/c1-12(16(2,3)4)20-15(22)14(17(5,6)7)19-11-13-18-9-10-21(13)8/h9-10,12,14,19H,11H2,1-8H3,(H,20,22)/t12-,14-/m1/s1 |
| Isomeric SMILES | C[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C)NCC1=NC=CN1C |
| WGK Germany | 3 |
| PubChem CID | 11851249 |
| Molecular Weight | 308.46 |
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 Aralkylamines N-substituted imidazoles N-acyl amines Heteroaromatic compounds Secondary carboxylic acid amides Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Valine or derivatives - Alpha-amino acid amide - Aralkylamine - Fatty amide - Fatty acyl - N-acyl-amine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Carboxamide group - Secondary carboxylic acid amide - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic 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 |
| Molecular Weight | 308.500 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Exact Mass | 308.258 Da |
| Monoisotopic Mass | 308.258 Da |
| Topological Polar Surface Area | 59.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 370.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
