Determine the necessary mass, volume, or concentration for preparing a solution.
Moligand™,≥97% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged Ships Wet ice 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.
RS 8359 is a selective and reversible MAO-A inhibitor, with antidepressant activity.
| Canonical Smiles | C1CC2=C(C1O)N=CN=C2NC3=CC=C(C=C3)C#N |
|---|---|
| IUPAC Name | 4-[(7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]benzonitrile |
| InChIKey | YKTSVZRWKHWINV-UHFFFAOYSA-N |
| INCHI | 1S/C14H12N4O/c15-7-9-1-3-10(4-2-9)18-14-11-5-6-12(19)13(11)16-8-17-14/h1-4,8,12,19H,5-6H2,(H,16,17,18) |
| Isomeric SMILES | C1CC2=C(C1O)N=CN=C2NC3=CC=C(C=C3)C#N |
| Alternate CAS | 119670-32-5,105365-76-2 |
| PubChem CID | 164116 |
| MeSH Entry Terms | 4-(4-cyanophenyl)amino-6,7-dihydro-7-hydroxy-5H-cyclopenta(d)pyrimidine;RS 8359;RS-8359 |
| Molecular Weight | 252.27 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzonitriles |
| Alternative Parents | Aniline and substituted anilines Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Secondary alcohols Secondary amines Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aniline or substituted anilines - Benzonitrile - Aminopyrimidine - Imidolactam - Pyrimidine - Heteroaromatic compound - Secondary alcohol - Azacycle - Organoheterocyclic compound - Secondary amine - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent. |
| External Descriptors | Not available |
| Solubility | DMSO : 50 mg/mL (198.20 mM; ultrasonic and warming and heat to 80°C) |
|---|---|
| Sensitivity | light sensitive; air sensitive |
| Molecular Weight | 252.270 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 252.101 Da |
| Monoisotopic Mass | 252.101 Da |
| Topological Polar Surface Area | 81.800 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 358.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →