≥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 | COC(=O)C(CC1=CN(C=N1)CC2=CC=CC=C2)N.Cl |
|---|---|
| IUPAC Name | methyl (2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoate;hydrochloride |
| InChIKey | PDWWNBDQGDYHPH-ZOWNYOTGSA-N |
| INCHI | 1S/C14H17N3O2.ClH/c1-19-14(18)13(15)7-12-9-17(10-16-12)8-11-5-3-2-4-6-11;/h2-6,9-10,13H,7-8,15H2,1H3;1H/t13-;/m0./s1 |
| Isomeric SMILES | COC(=O)[C@H](CC1=CN(C=N1)CC2=CC=CC=C2)N.Cl |
| PubChem CID | 70064508 |
| Molecular Weight | 295.77 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Histidine and derivatives |
| Alternative Parents | Alpha amino acid esters Aralkylamines Fatty acid esters N-substituted imidazoles Benzene and substituted derivatives Quaternary ammonium salts Methyl esters Heteroaromatic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic chloride salts Organic cations |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Histidine or derivatives - Alpha-amino acid ester - Fatty acid ester - Aralkylamine - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Fatty acyl - Azole - Heteroaromatic compound - Imidazole - Methyl ester - Quaternary ammonium salt - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Primary amine - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic chloride salt - Organic salt - Organic cation - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as histidine and derivatives. These are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine 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 | 295.760 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 295.109 Da |
| Monoisotopic Mass | 295.109 Da |
| Topological Polar Surface Area | 70.100 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 292.000 |
| 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 |
