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· · COA & SDS available for every product · Same-day shipping on in-stock items (Z)-2-(2-bromophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enenitrile , CAS No.Z669272
Synonyms
DG-172 | BDBM50383371 | AKOS030260550
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
DG-172 | BDBM50383371 | AKOS030260550
Product Properties Names and Identifiers Canonical Smiles CN1CCN(CC1)C2=CC=C(C=C2)C=C(C#N)C3=CC=CC=C3Br IUPAC Name (Z)-2-(2-bromophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enenitrile InChIKey ZJMDTBBCNMGFMS-SAPNQHFASA-N INCHI 1S/C20H20BrN3/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/b17-14+ Isomeric SMILES CN1CCN(CC1)C2=CC=C(C=C2)/C=C(\C#N)/C3=CC=CC=C3Br Molecular Weight 382.3 Reaxy-Rn 22539733 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22539733&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification 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 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 bromide - Benzenoid - Piperazine - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Nitrile - Carbonitrile - Hydrocarbon derivative - Organohalogen compound - Amine - Organobromide - Organonitrogen compound - Organic nitrogen compound - Cyanide - 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 Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 382.300 g/mol XLogP3 4.300 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 381.084 Da Monoisotopic Mass 381.084 Da Topological Polar Surface Area 30.300 Ų Heavy Atom Count 24 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 1
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