Methyl 2-Acetamidoacrylate - ≥97%(GC) , CAS No.35356-70-8

CAS: 35356-70-8 Cat. No.: M157974 Peso molecular: 143.14 Beilstein Registry Number: 3(3)1161 Número EC: 609-121-9

GRADE & PURITY ≥97%(GC)

Synonyms

Methyl 2-(acetylamino)acrylate # | methyl 2-acetaminoacrylate | 2-Acetamidoacrylicacidmethylester | FT-0610931 | METHYL .ALPHA.-ACETAMIDOACRYLATE | EN300-96138 | MFCD00013394 | Durol Black BA | 2-Acetamidoacrylic Acid Methyl Ester | alpha-Acetamidoacrylic

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Methyl 2-(acetylamino)acrylate # | methyl 2-acetaminoacrylate | 2-Acetamidoacrylicacidmethylester | FT-0610931 | METHYL .ALPHA.-ACETAMIDOACRYLATE | EN300-96138 | MFCD00013394 | Durol Black BA | 2-Acetamidoacrylic Acid Methyl Ester | alpha-Acetamidoacrylic

Especificaciones y pureza

≥97%(GC)

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.

Pureza

≥97%(GC)

Nombres e identificadores

• Pubchem Sid: 504756410
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756410
• Sonrisas canónicas: CC(=O)NC(=C)C(=O)OC
• IUPAC Name: methyl 2-acetamidoprop-2-enoate
• InChIKey: SMWNFFKPVLVOQQ-UHFFFAOYSA-N
• INCHI: 1S/C6H9NO3/c1-4(6(9)10-3)7-5(2)8/h1H2,2-3H3,(H,7,8)
• Isómeros SMILES: CC(=O)NC(=C)C(=O)OC
• WGK Alemania: 3
• Peso molecular: 143.14
• Beilstein: 3(3)1161
• Reaxy-Rn: 1812208
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1812208&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-acyl-alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids and derivatives
• Alternative Parents: Methyl esters Enoate esters Acetamides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: N-acyl-alpha amino acid or derivatives - Methyl ester - Acetamide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal 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.

DOI: 10.1186/s13321-016-0174-y

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Heat Sensitive
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 104°C/8mmHg(lit.)
• Punto de fusión (°C): 51 °C
• Peso molecular: 143.140 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 143.058 Da
• Monoisotopic Mass: 143.058 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 174.000
• 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