Determine the necessary mass, volume, or concentration for preparing a solution.
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 | C1CN(CCN1)CCN=CC2=C(CC(CC2=O)C3=CC=CC=C3)O |
|---|---|
| IUPAC Name | 3-hydroxy-5-phenyl-2-(2-piperazin-1-ylethyliminomethyl)cyclohex-2-en-1-one |
| InChIKey | OTKQAOZWXDACSJ-UHFFFAOYSA-N |
| INCHI | 1S/C19H25N3O2/c23-18-12-16(15-4-2-1-3-5-15)13-19(24)17(18)14-21-8-11-22-9-6-20-7-10-22/h1-5,14,16,20,23H,6-13H2 |
| Isomeric SMILES | C1CN(CCN1)CCN=CC2=C(CC(CC2=O)C3=CC=CC=C3)O |
| PubChem CID | 135418632 |
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 →| Molecular Weight | 327.400 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 327.195 Da |
| Monoisotopic Mass | 327.195 Da |
| Topological Polar Surface Area | 64.900 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 489.000 |
| 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 |