N,N-Dimethylisobutyramide - ≥98%(GC) , CAS No.21678-37-5

CAS: 21678-37-5 Cat. No.: N159316 Peso molecular: 115.18 Número EC: 606-821-6

GRADE & PURITY ≥98%(GC)

Synonyms

SY050537 | SCHEMBL282872 | NSC53151 | NSC-53151 | D4918 | DTXSID80287892 | A4660 | N,N-dimethyl-2-methylpropionamide | N,N-dimethyl2-methylpropionamide | Propanamide, N,N,2-trimethyl | Propanamide,N,N,2-trimethyl- | AS-40523 | MFCD00075378 | N,N,2-Trimeth

Storage

Room temperature

Shipped In

Normal

Descripción general

N,N-Dimethylisobutyramide is an N,N-disubstituted amide. It can be prepared by acylation of secondary amines with acyl chloride.
N,N-Dimethylisobutyramide may be used in the preparation of 1-chloro-N,N,2-trimethylpropenylamine.

Specifications

Sinónimos

SY050537 | SCHEMBL282872 | NSC53151 | NSC-53151 | D4918 | DTXSID80287892 | A4660 | N, N-dimethyl-2-methylpropionamide | N, N-dimethyl2-methylpropionamide | Propanamide, N, N, 2-trimethyl | Propanamide, N, N, 2-trimethyl- | AS-40523 | MFCD00075378 | N, N, 2-Trimeth

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488188956
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188956
• Sonrisas canónicas: CC(C)C(=O)N(C)C
• IUPAC Name: N,N,2-trimethylpropanamide
• InChIKey: GXMIHVHJTLPVKL-UHFFFAOYSA-N
• INCHI: 1S/C6H13NO/c1-5(2)6(8)7(3)4/h5H,1-4H3
• Isómeros SMILES: CC(C)C(=O)N(C)C
• WGK Alemania: 3
• Peso molecular: 115.18
• Reaxy-Rn: 1742178
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1742178&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 Tertiary carboxylic acid amides

• 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: Tertiary carboxylic acid amides
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary 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 tertiary carboxylic acid amides. These are compounds containing an amide derivative of carboxylic acid, with the general structure RN(R1)C(R2)=O (R1-R2 any atom but H).
• 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: 1.44
• Punto de inflamación (°F): 309 °F
• Punto de inflamación (°C): 154℃
• Punto de ebullición (°C): 175-176℃/44mm
• Peso molecular: 115.170 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 115.1 Da
• Monoisotopic Mass: 115.1 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 86.500
• 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