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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 3-(1H-Indole-3-carbonyloxy)-8,8-dimethyl-8-azonia-bicyclo[3.2.1]octane , CAS No.H669170
Synonyms
Lopac0_001273 | BDBM50096712 | CCG-205346 | NCGC00015986-02 | NCGC00015986-03 | NCGC00162386-01 | PD034246 | 3-(1H-Indole-3-carbonyloxy)-8,8-dimethyl-8-azonia-bicyclo[3.2.1]octane
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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
Lopac0_001273 | BDBM50096712 | CCG-205346 | NCGC00015986-02 | NCGC00015986-03 | NCGC00162386-01 | PD034246 | 3-(1H-Indole-3-carbonyloxy)-8, 8-dimethyl-8-azonia-bicyclo[3.2.1]octane
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto Nombres e identificadores Sonrisas canónicas C[N+]1(C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43)C IUPAC Name (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 1H-indole-3-carboxylate InChIKey KVDHVTQKKLVMJD-UHFFFAOYSA-O INCHI 1S/C18H22N2O2/c1-20(2)12-7-8-13(20)10-14(9-12)22-18(21)16-11-19-17-6-4-3-5-15(16)17/h3-6,11-14H,7-10H2,1-2H3/p+1 Isómeros SMILES C[N+]1(C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43)C Peso molecular 299.4 Reaxy-Rn 25989729 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25989729&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 Indoles and derivatives Subclass Indolecarboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Indolecarboxylic acids and derivatives Alternative Parents Tropane alkaloids Indoles Pyrrole carboxylic acids and derivatives Benzenoids Substituted pyrroles Piperidines N-alkylpyrrolidines Vinylogous amides Heteroaromatic compounds Tetraalkylammonium salts Carboxylic acid esters Azacyclic compounds Amines Hydrocarbon derivatives Organooxygen compounds Organic oxides Organic cations Molecular Framework Aromatic heteropolycyclic compounds Substituents Indolecarboxylic acid derivative - Indole - Tropane alkaloid - Pyrrole-3-carboxylic acid or derivatives - Piperidine - Benzenoid - N-alkylpyrrolidine - Substituted pyrrole - Tetraalkylammonium salt - Heteroaromatic compound - Vinylogous amide - Pyrrole - Quaternary ammonium salt - Pyrrolidine - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organic cation - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole. 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 299.400 g/mol XLogP3 3.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 3 Exact Mass 299.176 Da Monoisotopic Mass 299.176 Da Topological Polar Surface Area 42.100 Ų Heavy Atom Count 22 Formal Charge 1 Complexity 434.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 2 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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