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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 1-[2-(3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-4-(4-fluorophenyl)piperazine , CAS No.170858-36-3
Synonyms
PNU-96415E | 1-[2-(3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-4-(4-fluorophenyl)piperazine | BDBM85067 | CHEBI:91973 | DTXSID201144708 | PDSP1_000662 | PDSP2_000653 | NCGC00378709-01 | CAS_170856-41-4 | L013282 | BRD-A95096829-300-01-4 | Q27163771 | 1-[2-(3,
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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 Sinónimos
PNU-96415E | 1-[2-(3, 4-dihydro-1H-2-benzopyran-1-yl)ethyl]-4-(4-fluorophenyl)piperazine | BDBM85067 | CHEBI:91973 | DTXSID201144708 | PDSP1_000662 | PDSP2_000653 | NCGC00378709-01 | CAS_170856-41-4 | L013282 | BRD-A95096829-300-01-4 | Q27163771 | 1-[2-(3,
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto Nombres e identificadores Sonrisas canónicas C1COC(C2=CC=CC=C21)CCN3CCN(CC3)C4=CC=C(C=C4)F IUPAC Name 1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-(4-fluorophenyl)piperazine InChIKey UKOCGOXTVCIACM-UHFFFAOYSA-N INCHI 1S/C21H25FN2O/c22-18-5-7-19(8-6-18)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-25-21/h1-8,21H,9-16H2 Isómeros SMILES C1COC(C2=CC=CC=C21)CCN3CCN(CC3)C4=CC=C(C=C4)F Peso molecular 340.4 Reaxy-Rn 7547443 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7547443&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 Organoheterocyclic compounds Clase Diazinanes Subclass Piperazines Intermediate Tree Nodes Not available Direct Parent Phenylpiperazines Alternative Parents N-arylpiperazines 2-benzopyrans Dialkylarylamines Aniline and substituted anilines N-alkylpiperazines Fluorobenzenes Aralkylamines Aryl fluorides Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Phenylpiperazine - N-arylpiperazine - Benzopyran - Isochromane - 2-benzopyran - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aralkylamine - N-alkylpiperazine - Fluorobenzene - Halobenzene - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Dialkyl ether - Ether - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organopnictogen compound - Amine - Aromatic heteropolycyclic compound Descripción 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 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.
Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 340.400 g/mol XLogP3 3.700 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 4 Exact Mass 340.195 Da Monoisotopic Mass 340.195 Da Topological Polar Surface Area 15.700 Ų Heavy Atom Count 25 Formal Charge 0 Complexity 405.000 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
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