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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items beta-Carboline-3-carboxylic acid methyl ester , CAS No.69954-48-9
Synonyms
beta-CCM | beta-Carboline-3-carboxylic acid methyl ester | Methyl beta-carboline-3-carboxylate | methyl 9H-pyrido[3,4-b]indole-3-carboxylate | 3-Carbomethoxy-beta-carboline | I2A008F6YL | Methyl 9H-Pyrido(3,4-b)indole-3-carboxylate | 9H-Pyrido[3,4-b]indol
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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
beta-CCM | beta-Carboline-3-carboxylic acid methyl ester | Methyl beta-carboline-3-carboxylate | methyl 9H-pyrido[3, 4-b]indole-3-carboxylate | 3-Carbomethoxy-beta-carboline | I2A008F6YL | Methyl 9H-Pyrido(3, 4-b)indole-3-carboxylate | 9H-Pyrido[3, 4-b]indol
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto Nombres e identificadores Sonrisas canónicas COC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2 IUPAC Name methyl 9H-pyrido[3,4-b]indole-3-carboxylate InChIKey UKHFPVCOXBJPIN-UHFFFAOYSA-N INCHI 1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3 Isómeros SMILES COC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2 PubChem CID 107704 Peso molecular 226.23
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 Pyridoindoles Intermediate Tree Nodes Not available Direct Parent Beta carbolines Alternative Parents Pyridinecarboxylic acids Indoles Benzenoids Pyrroles Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Beta-carboline - Indole - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyridine - Benzenoid - Pyrrole - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as beta carbolines. These are compounds containing a 9H-pyrido[3,4-b]indole 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 Objetivos asociados (humanos) Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 226.230 g/mol XLogP3 3.400 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 226.074 Da Monoisotopic Mass 226.074 Da Topological Polar Surface Area 55.000 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 308.000 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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