≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated 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.
| Pubchem Sid | 504771555 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504771555 |
| Canonical Smiles | CN1CCN(CC1)C2=CC=C(C=C2)C=C(C#N)C3=CC=CC=C3Br.Cl.Cl |
| IUPAC Name | (Z)-2-(2-bromophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enenitrile;dihydrochloride |
| InChIKey | SABUORLIDVBCPI-WTLOABTRSA-N |
| INCHI | 1S/C20H20BrN3.2ClH/c1-23-10-12-24(13-11-23)18-8-6-16(7-9-18)14-17(15-22)19-4-2-3-5-20(19)21;;/h2-9,14H,10-13H2,1H3;2*1H/b17-14+;; |
| Isomeric SMILES | CN1CCN(CC1)C2=CC=C(C=C2)/C=C(\C#N)/C3=CC=CC=C3Br.Cl.Cl |
| PubChem CID | 57342888 |
| Molecular Weight | 455.22 |
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 | Phenylpropanoids and polyketides |
| Class | Stilbenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Stilbenes |
| Alternative Parents | Phenylpiperazines N-arylpiperazines Styrenes Dialkylarylamines Aniline and substituted anilines N-methylpiperazines Bromobenzenes Aryl bromides Trialkylamines Nitriles Azacyclic compounds Organobromides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Stilbene - Phenylpiperazine - N-arylpiperazine - Styrene - Aniline or substituted anilines - Dialkylarylamine - Bromobenzene - Halobenzene - N-methylpiperazine - N-alkylpiperazine - Aryl halide - Aryl bromide - Benzenoid - Piperazine - Monocyclic benzene moiety - 1,4-diazinane - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Carbonitrile - Nitrile - Hydrochloride - Organohalogen compound - Organobromide - Amine - Organonitrogen compound - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2204194 | Certificate of Analysis | Mar 04, 2025 | D286571 |
| F2204246 | Certificate of Analysis | Mar 04, 2025 | D286571 |
| F2204247 | Certificate of Analysis | Mar 04, 2025 | D286571 |
| F2204250 | Certificate of Analysis | Mar 04, 2025 | D286571 |
| Solubility | Solvent:water, Max Conc. mg/mL: 45.52, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 45.52, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 455.200 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 453.037 Da |
| Monoisotopic Mass | 453.037 Da |
| Topological Polar Surface Area | 30.300 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 478.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 3 |
