≥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 | C(CN)C1=NNC(=O)N1.Cl |
|---|---|
| IUPAC Name | 3-(2-aminoethyl)-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride |
| InChIKey | PIPCCVDCXYVKAU-UHFFFAOYSA-N |
| INCHI | 1S/C4H8N4O.ClH/c5-2-1-3-6-4(9)8-7-3;/h1-2,5H2,(H2,6,7,8,9);1H |
| Molecular Weight | 164.59 |
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 | Aralkylamines Triazoles Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-arylethylamine - Aralkylamine - Heteroaromatic compound - 1,2,4-triazole - Azole - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen 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 | 164.590 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 164.046 Da |
| Monoisotopic Mass | 164.046 Da |
| Topological Polar Surface Area | 79.500 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 153.000 |
| 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 |
