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Reagent grade Reagent Grade 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=C(C=NN1CCN)Cl |
|---|---|
| IUPAC Name | 2-(4-chloropyrazol-1-yl)ethanamine |
| InChIKey | HYMUJSKLHIXUOM-UHFFFAOYSA-N |
| INCHI | 1S/C5H8ClN3/c6-5-3-8-9(4-5)2-1-7/h3-4H,1-2,7H2 |
| Isomeric SMILES | C1=C(C=NN1CCN)Cl |
| WGK Germany | 3 |
| Molecular Weight | 145.59 |
| Reaxy-Rn | 9616854 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9616854&ln= |
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 nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Amines |
| Intermediate Tree Nodes | Primary amines |
| Direct Parent | 2-arylethylamines |
| Alternative Parents | Aryl chlorides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organochlorides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-arylethylamine - Aryl halide - Aryl chloride - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Primary aliphatic amine - 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 | 145.590 g/mol |
|---|---|
| XLogP3 | -0.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 145.041 Da |
| Monoisotopic Mass | 145.041 Da |
| Topological Polar Surface Area | 43.800 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 88.300 |
| 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 | 1 |
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