≥98% 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 | CC1=NOC(=N1)C(C)(C#CC2=CC3=C(CCN3C4=NC(=NC=C4Cl)N)C=C2)O |
|---|---|
| IUPAC Name | 4-[1-(2-amino-5-chloropyrimidin-4-yl)-2,3-dihydroindol-6-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)but-3-yn-2-ol |
| InChIKey | ZTGSICGSZVMZDH-UHFFFAOYSA-N |
| INCHI | 1S/C19H17ClN6O2/c1-11-23-17(28-25-11)19(2,27)7-5-12-3-4-13-6-8-26(15(13)9-12)16-14(20)10-22-18(21)24-16/h3-4,9-10,27H,6,8H2,1-2H3,(H2,21,22,24) |
| Molecular Weight | 396.800 |
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 | Tertiary amines - Tertiary alkylarylamines |
| Direct Parent | Alkyldiarylamines |
| Alternative Parents | Indoles and derivatives Aminopyrimidines and derivatives Halopyrimidines Ynones Aryl chlorides Imidolactams Benzenoids Tertiary alcohols 1,2,4-oxadiazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organochlorides Aromatic alcohols Primary amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alkyldiarylamine - Indole or derivatives - Aminopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Pyrimidine - Imidolactam - Benzenoid - Ynone - 1,2,4-oxadiazole - Heteroaromatic compound - Azole - Oxadiazole - Tertiary alcohol - Azacycle - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Alcohol - Primary amine - Hydrocarbon derivative - Aromatic alcohol - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyldiarylamines. These are tertiary alkylarylamines having two aryl and one alkyl groups attached to the amino group. |
| External Descriptors | Not available |
| Molecular Weight | 396.800 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 396.11 Da |
| Monoisotopic Mass | 396.11 Da |
| Topological Polar Surface Area | 114.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 640.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
