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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 | CCN1C2=C(C(=CC=C2)Cl)C(=N1)N |
|---|---|
| IUPAC Name | 4-chloro-1-ethylindazol-3-amine |
| InChIKey | QVSAXMOYEMOPII-UHFFFAOYSA-N |
| INCHI | 1S/C9H10ClN3/c1-2-13-7-5-3-4-6(10)8(7)9(11)12-13/h3-5H,2H2,1H3,(H2,11,12) |
| Isomeric SMILES | CCN1C2=C(C(=CC=C2)Cl)C(=N1)N |
| PubChem CID | 28064680 |
| Molecular Weight | 195.65 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzopyrazoles |
| Subclass | Indazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indazoles |
| Alternative Parents | Imidolactams Benzenoids Aryl chlorides Pyrazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzopyrazole - Indazole - Aryl chloride - Aryl halide - Imidolactam - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Azacycle - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Primary amine - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene. |
| External Descriptors | Not available |
| Molecular Weight | 195.650 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 195.056 Da |
| Monoisotopic Mass | 195.056 Da |
| Topological Polar Surface Area | 43.800 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 188.000 |
| 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 | 1 |
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