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≥97% 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 | C1=C(C=NN1)CCN.Cl.Cl |
|---|---|
| IUPAC Name | 2-(1H-pyrazol-4-yl)ethanamine;dihydrochloride |
| InChIKey | QRNKXBTUKXAGHN-UHFFFAOYSA-N |
| INCHI | 1S/C5H9N3.2ClH/c6-2-1-5-3-7-8-4-5;;/h3-4H,1-2,6H2,(H,7,8);2*1H |
| Isomeric SMILES | C1=C(C=NN1)CCN.Cl.Cl |
| Alternate CAS | 6429-11-4 |
| PubChem CID | 22451950 |
| MeSH Entry Terms | 4-(beta-aminoethyl)pyrazole |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Aralkylamines Pyrazoles Heteroaromatic compounds Azacyclic compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-arylethylamine - Aralkylamine - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Hydrochloride - 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 | 184.060 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 183.033 Da |
| Monoisotopic Mass | 183.033 Da |
| Topological Polar Surface Area | 54.700 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 64.700 |
| 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 | 3 |