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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile , CAS No.127792-81-8
Synonyms
3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile | 5-cyano-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole | DTXSID00462669 | TQP0495 | VADZOZAUGGYKFE-UHFFFAOYSA-N | BDBM50015711 | 5-cyano-3-(1,2,5,6-tetrahydropyridin-4-yl)-1H-indole | 3-(1,2,3,6-
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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
3-(1, 2, 3, 6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile | 5-cyano-3-(1, 2, 3, 6-tetrahydropyridin-4-yl)-1H-indole | DTXSID00462669 | TQP0495 | VADZOZAUGGYKFE-UHFFFAOYSA-N | BDBM50015711 | 5-cyano-3-(1, 2, 5, 6-tetrahydropyridin-4-yl)-1H-indole | 3-(1, 2, 3, 6-
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto Nombres e identificadores Sonrisas canónicas C1CNCC=C1C2=CNC3=C2C=C(C=C3)C#N IUPAC Name 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile InChIKey VADZOZAUGGYKFE-UHFFFAOYSA-N INCHI 1S/C14H13N3/c15-8-10-1-2-14-12(7-10)13(9-17-14)11-3-5-16-6-4-11/h1-3,7,9,16-17H,4-6H2 Isómeros SMILES C1CNCC=C1C2=CNC3=C2C=C(C=C3)C#N PubChem CID 11333554 Peso molecular 223.27
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 Indoles and derivatives Subclass Indoles Intermediate Tree Nodes Not available Direct Parent Indoles Alternative Parents Substituted pyrroles Hydropyridines Benzenoids Heteroaromatic compounds Nitriles Dialkylamines Azacyclic compounds Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Indole - Hydropyridine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Secondary amine - Nitrile - Carbonitrile - Secondary aliphatic amine - Azacycle - Hydrocarbon derivative - Amine - Organonitrogen compound - Cyanide - Organic nitrogen compound - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. 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) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 223.270 g/mol XLogP3 1.500 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 1 Exact Mass 223.111 Da Monoisotopic Mass 223.111 Da Topological Polar Surface Area 51.600 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 365.000 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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