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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Methyl 1-Benzylpyrrolidine-3-carboxylate - ≥98%(GC) , CAS No.17012-21-4
Synonyms
Methyl 1-benzylpyrrolidine-3-carboxylate | AM20030136 | EN300-54485 | M2866 | (+/-) methyl 1-benzyl-4-pyrrolidylcarboxylate | A805547 | methyl 1-(phenylmethyl)pyrrolidine-3-carboxylate | MFCD04038678 | 1-Benzyl-pyrrolidine-3-carboxylic acid methyl ester |
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Why this grade ≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature 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
Methyl 1-benzylpyrrolidine-3-carboxylate | AM20030136 | EN300-54485 | M2866 | (+/-) methyl 1-benzyl-4-pyrrolidylcarboxylate | A805547 | methyl 1-(phenylmethyl)pyrrolidine-3-carboxylate | MFCD04038678 | 1-Benzyl-pyrrolidine-3-carboxylic acid methyl ester |
Especificaciones y pureza
≥98%(GC)
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488194927 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488194927 Sonrisas canónicas COC(=O)C1CCN(C1)CC2=CC=CC=C2 IUPAC Name methyl 1-benzylpyrrolidine-3-carboxylate InChIKey GDWFCUOFVSNTTG-UHFFFAOYSA-N INCHI 1S/C13H17NO2/c1-16-13(15)12-7-8-14(10-12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3 Isómeros SMILES COC(=O)C1CCN(C1)CC2=CC=CC=C2 Peso molecular 219.28 Reaxy-Rn 164500 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=164500&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 Pyrrolidines Subclass Pyrrolidine carboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Pyrrolidine carboxylic acids Alternative Parents Phenylmethylamines Benzylamines Aralkylamines N-alkylpyrrolidines Methyl esters Trialkylamines Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Benzylamine - Phenylmethylamine - Pyrrolidine carboxylic acid - Aralkylamine - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Methyl ester - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. 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 Solubilidad Sparingly soluble in water.(0.26 g/L) (25°C), Índice de refracción 1.52 Punto de inflamación (°C) 105 °C Punto de ebullición (°C) 105°C/4mmHg Peso molecular 219.280 g/mol XLogP3 1.700 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 4 Exact Mass 219.126 Da Monoisotopic Mass 219.126 Da Topological Polar Surface Area 29.500 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 236.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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