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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items methyl azepane-3-carboxylate;hydrochloride - ≥97% , CAS No.198959-48-7
Synonyms
Methyl azepane-3-carboxylate hydrochloride | 198959-48-7 | methyl azepane-3-carboxylate | hydrochloride | Methylazepane-3-carboxylatehydrochloride | SCHEMBL6380748 | 1H-Azepine-3-carboxylic acid, hexahydro-, methyl ester, hydrochloride | AKOS016005940 | M
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C Ships Wet ice 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 azepane-3-carboxylate hydrochloride | 198959-48-7 | methyl azepane-3-carboxylate | hydrochloride | Methylazepane-3-carboxylatehydrochloride | SCHEMBL6380748 | 1H-Azepine-3-carboxylic acid, hexahydro-, methyl ester, hydrochloride | AKOS016005940 | M
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores Sonrisas canónicas COC(=O)C1CCCCNC1.Cl IUPAC Name methyl azepane-3-carboxylate;hydrochloride InChIKey ICRDHAUIOXALHS-UHFFFAOYSA-N INCHI 1S/C8H15NO2.ClH/c1-11-8(10)7-4-2-3-5-9-6-7;/h7,9H,2-6H2,1H3;1H Isómeros SMILES COC(=O)C1CCCCNC1.Cl PubChem CID 18784311
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 Azepanes Subclass Not available Intermediate Tree Nodes Not available Direct Parent Azepanes Alternative Parents Methyl esters Amino acids and derivatives Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic heteromonocyclic compounds Substituents Azepane - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Secondary aliphatic amine - Secondary amine - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as azepanes. These are organic compounds containing a saturated seven member heterocycle, with one nitrogen atom. 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 193.670 g/mol XLogP3 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 193.087 Da Monoisotopic Mass 193.087 Da Topological Polar Surface Area 38.300 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 136.000 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 2
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