≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,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.
| Canonical Smiles | C1CN(CCN1CC2=CC=CC=C2)C3=CC=CC=C3C=O |
|---|---|
| IUPAC Name | 2-(4-benzylpiperazin-1-yl)benzaldehyde |
| InChIKey | BDEPGTDKVXMYQP-UHFFFAOYSA-N |
| INCHI | 1S/C18H20N2O/c21-15-17-8-4-5-9-18(17)20-12-10-19(11-13-20)14-16-6-2-1-3-7-16/h1-9,15H,10-14H2 |
| Isomeric SMILES | C1CN(CCN1CC2=CC=CC=C2)C3=CC=CC=C3C=O |
| PubChem CID | 2798037 |
| Molecular Weight | 280.37 |
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 | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperazines |
| Alternative Parents | N-arylpiperazines Phenylmethylamines Dialkylarylamines Benzylamines Benzoyl derivatives Benzaldehydes Aniline and substituted anilines N-alkylpiperazines Aralkylamines Vinylogous amides Trialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - Benzaldehyde - Benzoyl - Benzylamine - Phenylmethylamine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Aryl-aldehyde - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Tertiary aliphatic amine - Tertiary amine - Azacycle - Amine - Aldehyde - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. |
| External Descriptors | Not available |
| Sensitivity | Air sensitive |
|---|---|
| Melt Point(°C) | 57-59° |
| Molecular Weight | 280.400 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 280.158 Da |
| Monoisotopic Mass | 280.158 Da |
| Topological Polar Surface Area | 23.600 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 319.000 |
| 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 |
