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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 4-(Isopropilamino)benzonitrilo - ≥98% , CAS No.204078-26-2
Synonyms
FT-0737566 | A879642 | DTXSID60632624 | DFJUAQRBUUGSNE-UHFFFAOYSA-N | 4-[(Propan-2-yl)amino]benzonitrile | AS-60272 | 4-(Isopropylamino)benzonitrile | AKOS000239731 | SCHEMBL7522122 | W15912 | 4-(propan-2-ylamino)benzonitrile | 4-Isopropylaminobenzonitril
Storage
Temperatura ambiente
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Temperatura ambiente 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
FT-0737566 | A879642 | DTXSID60632624 | DFJUAQRBUUGSNE-UHFFFAOYSA-N | 4-[(Propan-2-yl)amino]benzonitrile | AS-60272 | 4-(Isopropylamino)benzonitrile | AKOS000239731 | SCHEMBL7522122 | W15912 | 4-(propan-2-ylamino)benzonitrile | 4-Isopropylaminobenzonitril
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Temperatura ambiente
Nombres e identificadores Sonrisas canónicas CC(C)NC1=CC=C(C=C1)C#N IUPAC Name 4-(propan-2-ylamino)benzonitrile InChIKey DFJUAQRBUUGSNE-UHFFFAOYSA-N INCHI 1S/C10H12N2/c1-8(2)12-10-5-3-9(7-11)4-6-10/h3-6,8,12H,1-2H3 Isómeros SMILES CC(C)NC1=CC=C(C=C1)C#N Peso molecular 160.2 Reaxy-Rn 8614326 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8614326&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 Organic nitrogen compounds Clase Organonitrogen compounds Subclass Amines Intermediate Tree Nodes Aralkylamines - Phenylalkylamines Direct Parent Phenylisopropylamines Alternative Parents Benzonitriles Aniline and substituted anilines Secondary alkylarylamines Nitriles Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Phenylisopropylamine - Aniline or substituted anilines - Benzonitrile - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Secondary amine - Nitrile - Carbonitrile - Cyanide - Hydrocarbon derivative - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as phenylisopropylamines. These are organic aromatic compounds containing a 1-phenylpropan-2-amine moiety. 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 Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 160.220 g/mol XLogP3 2.400 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 2 Exact Mass 160.1 Da Monoisotopic Mass 160.1 Da Topological Polar Surface Area 35.800 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 170.000 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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