GRADE & PURITY ≥98%

Synonyms

AKOS003847761 | UNII-G3N1629KEM | AS-58934 | SCHEMBL124179 | n-(1,1-dimethylethyl)acetamide | FT-0675965 | InChI=1/C6H13NO/c1-5(8)7-6(2,3)4/h1-4H3,(H,7,8 | ACYFWRHALJTSCF-UHFFFAOYSA-N | NSC 131312 | CH3C(O)NHC(CH3)3 | N-t-Butylacetamide | NSC131312 | NSC-

Storage

Room temperature

Shipped In

Normal

Descripción general

Application：

It finds its application in the synthesis of amides using the Ritter reaction with bismuth triflate catalysis.

Specifications

Sinónimos

AKOS003847761 | UNII-G3N1629KEM | AS-58934 | SCHEMBL124179 | n-(1, 1-dimethylethyl)acetamide | FT-0675965 | InChI=1/C6H13NO/c1-5(8)7-6(2, 3)4/h1-4H3, (H, 7, 8 | ACYFWRHALJTSCF-UHFFFAOYSA-N | NSC 131312 | CH3C(O)NHC(CH3)3 | N-t-Butylacetamide | NSC131312 | NSC-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504752408
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752408
• Sonrisas canónicas: CC(=O)NC(C)(C)C
• IUPAC Name: N-tert-butylacetamide
• InChIKey: ACYFWRHALJTSCF-UHFFFAOYSA-N
• INCHI: 1S/C6H13NO/c1-5(8)7-6(2,3)4/h1-4H3,(H,7,8)
• Isómeros SMILES: CC(=O)NC(C)(C)C
• Peso molecular: 115.17
• Beilstein: 1699507
• Reaxy-Rn: 1699507
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1699507&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: Secondary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetamide - Secondary carboxylic acid amide - 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

• Solubilidad: Soluble in water.
• Índice de refracción: n20D1.42 (Predicted)
• Punto de ebullición (°C): ~199.2° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 95-99°C
• Peso molecular: 115.170 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 115.1 Da
• Monoisotopic Mass: 115.1 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 91.200
• 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