≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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=CC(=NC(=N1)NC2=CC=C(C=C2)CC#N)NC3=NNC(=C3)C4CC4 |
|---|---|
| IUPAC Name | 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenyl]acetonitrile |
| InChIKey | WMBYJVXSANGBLN-UHFFFAOYSA-N |
| INCHI | 1S/C19H19N7/c1-12-10-17(23-18-11-16(25-26-18)14-4-5-14)24-19(21-12)22-15-6-2-13(3-7-15)8-9-20/h2-3,6-7,10-11,14H,4-5,8H2,1H3,(H3,21,22,23,24,25,26) |
| Molecular Weight | 345.400 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzyl cyanides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyl cyanides |
| Alternative Parents | Aniline and substituted anilines Aminopyrimidines and derivatives Imidolactams Pyrazoles Heteroaromatic compounds Secondary amines Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzyl-cyanide - Aniline or substituted anilines - Aminopyrimidine - Pyrimidine - Imidolactam - Heteroaromatic compound - Azole - Pyrazole - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Secondary amine - Hydrocarbon derivative - Organonitrogen compound - Amine - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 345.400 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 345.17 Da |
| Monoisotopic Mass | 345.17 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 505.000 |
| 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 |
