Determine the necessary mass, volume, or concentration for preparing a solution.
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≥97% 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.
| Pubchem Sid | 504770933 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504770933 |
| Sonrisas canónicas | C1C2CC2N(C1C#N)C(=O)C(C34CC5CC(C3)CC(C5)(C4)O)N.Cl |
| IUPAC Name | (1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile;hydrochloride |
| InChIKey | TUAZNHHHYVBVBR-NHKADLRUSA-N |
| INCHI | 1S/C18H25N3O2.ClH/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17;/h10-15,23H,1-7,9,20H2;1H/t10?,11?,12-,13+,14+,15-,17?,18?;/m1./s1 |
| Isómeros SMILES | C1[C@@H]2C[C@@H]2N([C@@H]1C#N)C(=O)[C@H](C34CC5CC(C3)CC(C5)(C4)O)N.Cl |
| PubChem CID | 49800073 |
| Peso molecular | 351.871 |
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 |
| Clase | 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 | N-acylpiperidines N-acylpyrrolidines Tertiary carboxylic acid amides Tertiary alcohols Cyclic alcohols and derivatives Nitriles Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid amide - N-acyl-piperidine - N-acylpyrrolidine - Piperidine - Cyclic alcohol - Pyrrolidine - Tertiary alcohol - Tertiary carboxylic acid amide - Carboxamide group - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Primary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Primary amine - Hydrochloride - Amine - Aliphatic heteropolycyclic compound |
| Descripción | 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 |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Aug 07, 2025 | S177249 | |
| Certificate of Analysis | Aug 07, 2025 | S177249 | |
| Certificate of Analysis | Aug 07, 2025 | S177249 | |
| Certificate of Analysis | Jul 28, 2022 | S177249 |
| Solubilidad | Solvent:water, Max Conc. mg/mL: 35.19, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 35.19, Max Conc. mM: 100 |
|---|---|
| Peso molecular | 351.900 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 351.171 Da |
| Monoisotopic Mass | 351.171 Da |
| Topological Polar Surface Area | 90.400 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 609.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |