N-Methoxydiacetamide [Selective Acetylating Reagent] - ≥95%(GC) , CAS No.128459-09-6

CAS: 128459-09-6 Cat. No.: N158888 Peso molecular: 131.13 Número EC: 621-301-9

GRADE & PURITY ≥95%(GC)

Synonyms

InChI=1/C5H9NO3/c1-4(7)6(9-3)5(2)8/h1-3H3 | AKOS037645329 | SCHEMBL95280 | N,N-Diacetyl-O-methylhydroxylamine | N-Methoxydiacetamide[SelectiveAcetylatingReagent] | N,N,N-Diacetylmethoxyamine | HWZKQIRJZPOEQF-UHFFFAOYSA- | DTXSID60337081 | MFCD00191669 | A

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Reactant for: · Preparation of benzamide derivatives as rally available antitumor agents · Synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors · Acetylation of amines (acetylating agent)

Specifications

Sinónimos

InChI=1/C5H9NO3/c1-4(7)6(9-3)5(2)8/h1-3H3 | AKOS037645329 | SCHEMBL95280 | N, N-Diacetyl-O-methylhydroxylamine | N-Methoxydiacetamide[SelectiveAcetylatingReagent] | N, N, N-Diacetylmethoxyamine | HWZKQIRJZPOEQF-UHFFFAOYSA- | DTXSID60337081 | MFCD00191669 | A

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥95%(GC)

Nombres e identificadores

• Sonrisas canónicas: CC(=O)N(C(=O)C)OC
• IUPAC Name: N-acetyl-N-methoxyacetamide
• InChIKey: HWZKQIRJZPOEQF-UHFFFAOYSA-N
• INCHI: 1S/C5H9NO3/c1-4(7)6(9-3)5(2)8/h1-3H3
• Isómeros SMILES: CC(=O)N(C(=O)C)OC
• WGK Alemania: 3
• Peso molecular: 131.13
• Reaxy-Rn: 3537117
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3537117&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Acetamides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Acetamides
• Alternative Parents: Dicarboximides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetamide - Dicarboximide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acetamides. These are organic compounds with the general formula RNHC(=O)CH3, where R= organyl group.
• 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

• Sensibilidad: Hygroscopic
• Índice de refracción: 1.447
• Punto de inflamación (°F): 186.8 °F
• Punto de inflamación (°C): 86 °C
• Punto de ebullición (°C): 74°C/12mmHg
• Punto de fusión (°C): 22 °C
• Peso molecular: 131.130 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 131.058 Da
• Monoisotopic Mass: 131.058 Da
• Topological Polar Surface Area: 46.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 118.000
• 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