N,N-Dimethylpropionamide - ≥98% , CAS No.758-96-3

CAS: 758-96-3 Cat. No.: D128096 Fórmula: C₅H₁₁NO Peso molecular: 101.15 Beilstein Registry Number: 1740719 Número CE: 212-064-9

GRADE & PURITY ≥98%

Synonyms

N,N-Dimethylpropanamide | Dimethylamide of propionic acid

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

N,N-Dimethylpropanamide | Dimethylamide of propionic acid

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488181756

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181756

Sorrisos canónicos

CCC(=O)N(C)C

IUPAC Name

N,N-dimethylpropanamide

InChIKey

MBHINSULENHCMF-UHFFFAOYSA-N

INCHI

1S/C5H11NO/c1-4-5(7)6(2)3/h4H2,1-3H3

SMILES isoméricas

CCC(=O)N(C)C

WGK Alemanha

2

RTECS

UE3810000

Peso molecular

101.15

Beilstein

1740719

Reaxy-Rn

1740719

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1740719&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe 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
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Soluble in water
• Índice de refração: 1.44
• Ponto de inflamação (°F): 143.6 °F
• Ponto de inflamação (°C): 62 °C
• Ponto de ebulição (°C): 176 °C
• Ponto de fusão (°C): −45 °C
• Peso molecular: 101.150 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 101.084 Da
• Monoisotopic Mass: 101.084 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 68.500
• 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