Ethyl 3-aminocrotonate - ≥98% , CAS No.626-34-6

CAS: 626-34-6 Cat. No.: E101139 Fórmula: C₆H₁₁NO₂ Peso molecular: 129.16 Número EC: 677-350-1

GRADE & PURITY ≥98%

Synonyms

2-Butenoic acid, 3-amino-, ethyl ester | Ethyl 3-aminocrotonate | NSC-1086 | STK397892 | 2-BUTENOIC ACID,3-AMINO,ETHYL ESTER,(TRANS) | Ethyl 3-aminocrotonate, 98% | 3-Aminocrotonic acid ethyl ester | MFCD00008073 | ethyl (Z)-3-aminobut-2-enoate | ethyl-3-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

application：

Ethyl 3-aminocrotonate, is used as an intermediate in organic synthesis. It is also used as an active ingredient in pharmaceutical synthesis and feed auxiliary agent. It is also used as an active pharmaceutical intermediate.

Specifications

Sinónimos

2-Butenoic acid, 3-amino-, ethyl ester | Ethyl 3-aminocrotonate | NSC-1086 | STK397892 | 2-BUTENOIC ACID,3-AMINO,ETHYL ESTER,(TRANS) | Ethyl 3-aminocrotonate, 98% | 3-Aminocrotonic acid ethyl ester | MFCD00008073 | ethyl (Z)-3-aminobut-2-enoate | ethyl-3-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 508808880
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508808880
• Sonrisas canónicas: CCOC(=O)C=C(C)N
• IUPAC Name: ethyl (Z)-3-aminobut-2-enoate
• InChIKey: YPMPTULBFPFSEQ-PLNGDYQASA-N
• INCHI: 1S/C6H11NO2/c1-3-9-6(8)4-5(2)7/h4H,3,7H2,1-2H3/b5-4-
• Isómeros SMILES: CCOC(=O)/C=C(/C)\N
• WGK Alemania: 3
• Número ONU: 3263
• Peso molecular: 129.16
• Reaxy-Rn: 471282
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471282&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acid esters

• 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 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 - 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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: Soluble in water (26 g/L) (25°C).
• Sensibilidad: Air and Moisture Sensitive
• Índice de refracción: 1.499
• Punto de inflamación (°F): 206.6 °F
• Punto de inflamación (°C): 97 °C
• Punto de ebullición (°C): 210-215°C
• Punto de fusión (°C): 33-35°C
• Peso molecular: 129.160 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 129.079 Da
• Monoisotopic Mass: 129.079 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 129.000
• 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