≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Desiccated Ships Ice chest + Ice pads 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 | COC1=CC(=C(C=C1)OC)C(CNC(=O)CN)O.Cl |
|---|---|
| IUPAC Name | 2-amino-N-[2-[2,5-bis(trideuteriomethoxy)phenyl]-2-hydroxyethyl]acetamide;hydrochloride |
| InChIKey | MGCQZNBCJBRZDT-TXHXQZCNSA-N |
| INCHI | 1S/C12H18N2O4.ClH/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13;/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16);1H/i1D3,2D3; |
| Isomeric SMILES | [2H]C([2H])([2H])OC1=CC(=C(C=C1)OC([2H])([2H])[2H])C(CNC(=O)CN)O.Cl |
| PubChem CID | 45359028 |
| Molecular Weight | 296.78 |
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 | Alpha amino acid amides |
| Alternative Parents | Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Secondary carboxylic acid amides Secondary alcohols Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alpha-amino acid amide - P-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Ether - Alcohol - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Aromatic alcohol - Hydrochloride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - 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 |
| Molecular Weight | 296.780 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 296.141 Da |
| Monoisotopic Mass | 296.141 Da |
| Topological Polar Surface Area | 93.800 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 262.000 |
| Isotope Atom Count | 6 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
