≥95% 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 | CCOC(=O)CNCC1=CC=C(C=C1)F.Cl |
|---|---|
| IUPAC Name | ethyl 2-[(4-fluorophenyl)methylamino]acetate;hydrochloride |
| InChIKey | BYHWLNCLPORUAF-UHFFFAOYSA-N |
| INCHI | 1S/C11H14FNO2.ClH/c1-2-15-11(14)8-13-7-9-3-5-10(12)6-4-9;/h3-6,13H,2,7-8H2,1H3;1H |
| Isomeric SMILES | CCOC(=O)CNCC1=CC=C(C=C1)F.Cl |
| PubChem CID | 24196032 |
| Molecular Weight | 247.69 |
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 | Alpha amino acid esters |
| Alternative Parents | Phenylmethylamines Benzylamines Fluorobenzenes Aralkylamines Aryl fluorides Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylamines Organofluorides Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alpha-amino acid ester - Benzylamine - Phenylmethylamine - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Secondary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Organooxygen compound - Hydrochloride - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. |
| External Descriptors | Not available |
| Molecular Weight | 247.690 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 247.078 Da |
| Monoisotopic Mass | 247.078 Da |
| Topological Polar Surface Area | 38.300 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 191.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
![Ethyl 2-{[(4-fluorophenyl)methyl]amino}acetate hydrochloride - ≥95% , CAS No.1135028-80-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)