≥97% 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 | C1=CC(=CN=C1)C2=NOC(=N2)CCN.C(=O)(C(F)(F)F)O |
|---|---|
| IUPAC Name | 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine;2,2,2-trifluoroacetic acid |
| InChIKey | MTBZMBJODDSYIK-UHFFFAOYSA-N |
| INCHI | 1S/C9H10N4O.C2HF3O2/c10-4-3-8-12-9(13-14-8)7-2-1-5-11-6-7;3-2(4,5)1(6)7/h1-2,5-6H,3-4,10H2;(H,6,7) |
| Isomeric SMILES | C1=CC(=CN=C1)C2=NOC(=N2)CCN.C(=O)(C(F)(F)F)O |
| PubChem CID | 46737065 |
| Molecular Weight | 304.23 |
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 nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Amines |
| Intermediate Tree Nodes | Primary amines |
| Direct Parent | 2-arylethylamines |
| Alternative Parents | Aralkylamines Pyridines and derivatives Heteroaromatic compounds Alpha-halocarboxylic acids 1,2,4-oxadiazoles Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Not available |
| Substituents | 2-arylethylamine - Aralkylamine - Pyridine - 1,2,4-oxadiazole - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Azole - Oxadiazole - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Primary aliphatic amine - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Organic oxide - Organohalogen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-arylethylamines. These are primary amines that have the general formula RCCNH2, where R is an organic group. |
| External Descriptors | Not available |
| Molecular Weight | 304.230 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 3 |
| Exact Mass | 304.078 Da |
| Monoisotopic Mass | 304.078 Da |
| Topological Polar Surface Area | 115.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 262.000 |
| 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 |
