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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 3-Aminocrotonic Acid Methyl Ester - ≥97% , CAS No.14205-39-1
Synonyms
R4X25GNG1J | Tox21_113788 | 2-BUTENOIC ACID, 3-AMINO-, METHYL ESTER, (Z)- | beta-Aminocrotonic acid methyl ester | NSC 65444 | AM20080319 | 2-Butenoic acid, 3-amino-, methyl ester | (Z)-methyl 3-aminobut-2-enoate | UNII-R4X25GNG1J | STR02566 | (Z)-3-Amino
Storage
Desiccated,Room temperature
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Desiccated,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.
Descripción general Methyl 3-aminocrotonate undergoes waste-free solid-state cascade reaction with crystalline ninhydrin.
Specifications Sinónimos
R4X25GNG1J | Tox21_113788 | 2-BUTENOIC ACID, 3-AMINO-, METHYL ESTER, (Z)- | beta-Aminocrotonic acid methyl ester | NSC 65444 | AM20080319 | 2-Butenoic acid, 3-amino-, methyl ester | (Z)-methyl 3-aminobut-2-enoate | UNII-R4X25GNG1J | STR02566 | (Z)-3-Amino
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Desiccated, Room temperature
Nombres e identificadores Pubchem Sid 488190977 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488190977 Sonrisas canónicas CC(=CC(=O)OC)N IUPAC Name methyl (Z)-3-aminobut-2-enoate InChIKey XKORCTIIRYKLLG-ARJAWSKDSA-N INCHI 1S/C5H9NO2/c1-4(6)3-5(7)8-2/h3H,6H2,1-2H3/b4-3- Isómeros SMILES C/C(=C/C(=O)OC)/N WGK Alemania 3 RTECS EM9092500 Peso molecular 115.13 Beilstein 956592 Reaxy-Rn 956592 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=956592&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 Lipids and lipid-like molecules Clase Fatty Acyls Subclass Fatty acid esters Intermediate Tree Nodes Not available Direct Parent Fatty acid esters Alternative Parents Vinylogous amides Methyl esters Enoate esters Amino acids and derivatives Monocarboxylic acids and derivatives Enamines Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic acyclic compounds Substituents Fatty acid ester - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Enamine - Carboxylic acid derivative - Organopnictogen compound - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Amine - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound Descripción This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. 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 Sensibilidad Hygroscopic. Punto de inflamación (°F) 195.8 °F Punto de inflamación (°C) 91°C Punto de ebullición (°C) 122°C/42mmHg Punto de fusión (°C) 81-83°C Peso molecular 115.130 g/mol XLogP3 0.600 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 115.063 Da Monoisotopic Mass 115.063 Da Topological Polar Surface Area 52.300 Ų Heavy Atom Count 8 Formal Charge 0 Complexity 118.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 1 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 1 Covalently-Bonded Unit Count 1
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