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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Methyl4-Acetamido-2-methoxybenzoate - ≥98% , CAS No.4093-29-2
Synonyms
4-acetylamino-2-methoxybenzoic acid methyl ester | 4-Acetylamino-2-methoxy-benzoic acid methyl ester | CAS-4093-29-2 | (5s,6r,7r,9r,16r)-16-hydroxy-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,15,16-hexahydro-5h,14h-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cycl
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Why this grade ≥98% 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
4-acetylamino-2-methoxybenzoic acid methyl ester | 4-Acetylamino-2-methoxy-benzoic acid methyl ester | CAS-4093-29-2 | (5s, 6r, 7r, 9r, 16r)-16-hydroxy-6-methoxy-5-methyl-7-(methylamino)-6, 7, 8, 9, 15, 16-hexahydro-5h, 14h-5, 9-epoxy-4b, 9a, 15-triazadibenzo[b, h]cycl
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488185453 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488185453 Sonrisas canónicas CC(=O)NC1=CC(=C(C=C1)C(=O)OC)OC IUPAC Name methyl 4-acetamido-2-methoxybenzoate InChIKey OERVVBDWGVOBIS-UHFFFAOYSA-N INCHI 1S/C11H13NO4/c1-7(13)12-8-4-5-9(11(14)16-3)10(6-8)15-2/h4-6H,1-3H3,(H,12,13) Isómeros SMILES CC(=O)NC1=CC(=C(C=C1)C(=O)OC)OC Peso molecular 223.23 Reaxy-Rn 2214251 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2214251&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 Benzenoids Clase Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Acylaminobenzoic acid and derivatives Alternative Parents O-methoxybenzoic acids and derivatives Acetanilides Benzoic acid esters N-acetylarylamines Methoxyanilines Methoxybenzenes Benzoyl derivatives Anisoles Phenoxy compounds Alkyl aryl ethers Methyl esters Acetamides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Molecular Framework Aromatic homomonocyclic compounds Substituents Acylaminobenzoic acid or derivatives - O-methoxybenzoic acid or derivatives - Acetanilide - Benzoate ester - Anilide - N-acetylarylamine - Methoxyaniline - Anisole - Phenoxy compound - Benzoyl - Phenol ether - N-arylamide - Methoxybenzene - Alkyl aryl ether - Acetamide - Methyl ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated. 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 (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Solubilidad Soluble in Methanol Punto de fusión (°C) 130 °C Peso molecular 223.220 g/mol XLogP3 1.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 4 Exact Mass 223.084 Da Monoisotopic Mass 223.084 Da Topological Polar Surface Area 64.599 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 267.000 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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