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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 2-Butyl-3-[[2'-cyano-[1,1'-biphenyl]-4-yl]methyl]-1,3-diazaspiro[4,4]non-1-en-4-one - ≥97% , CAS No.138401-24-8
Synonyms
B4143 | BDBM50042242 | CyanoIrbesartan | SCHEMBL1649794 | 1-(2-Methoxyphenyl)-4-(4-phthalimidobutyl)piperazinehydrobromide | SCHEMBL1316335 | 4'-((2-butyl-4-oxo-1,3-diazaspiro(4.4)non-1-ene-3-yl)methyl)(1,1'-biphenyl)-2-carbonitrile | 4'-[[2-butyl-4-oxo-1
Storage
Room temperature,Desiccated
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature,Desiccated Ships Normal 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
B4143 | BDBM50042242 | CyanoIrbesartan | SCHEMBL1649794 | 1-(2-Methoxyphenyl)-4-(4-phthalimidobutyl)piperazinehydrobromide | SCHEMBL1316335 | 4'-((2-butyl-4-oxo-1, 3-diazaspiro(4.4)non-1-ene-3-yl)methyl)(1, 1'-biphenyl)-2-carbonitrile | 4'-[[2-butyl-4-oxo-1
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature, Desiccated
Nombres e identificadores Sonrisas canónicas CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N IUPAC Name 2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]benzonitrile InChIKey KWEQEHOPDHARIA-UHFFFAOYSA-N INCHI 1S/C25H27N3O/c1-2-3-10-23-27-25(15-6-7-16-25)24(29)28(23)18-19-11-13-20(14-12-19)22-9-5-4-8-21(22)17-26/h4-5,8-9,11-14H,2-3,6-7,10,15-16,18H2,1H3 Isómeros SMILES CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N Peso molecular 385.51 Reaxy-Rn 6616711 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6616711&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 Benzenoids Clase Benzene and substituted derivatives Subclass Biphenyls and derivatives Intermediate Tree Nodes Not available Direct Parent Biphenylcarbonitriles Alternative Parents Alpha amino acids and derivatives Benzonitriles Imidazolinones Propargyl-type 1,3-dipolar organic compounds Nitriles Carboximidamides Carboxamidines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Biphenylcarbonitrile - Alpha-amino acid or derivatives - Benzonitrile - Imidazolinone - 2-imidazoline - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Carbonitrile - Nitrile - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as biphenylcarbonitriles. These are organic compounds containing an acetonitrile with one hydrogen replaced by a biphenyl 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 Solubilidad Soluble in Methanol Punto de fusión (°C) 93 °C Peso molecular 385.500 g/mol XLogP3 4.700 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 6 Exact Mass 385.215 Da Monoisotopic Mass 385.215 Da Topological Polar Surface Area 56.500 Ų Heavy Atom Count 29 Formal Charge 0 Complexity 661.000 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
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