Pivalamide - ≥98% , CAS No.754-10-9

CAS: 754-10-9 Cat. No.: P160454 Formule: C₅H₁₁NO Poids moléculaire: 101.15 Beilstein Registry Number: 2320 Numéro CE: 212-043-4 PubChem CID: 12957

QUALITÉ & PURETÉ ≥98%

Synonyms

neopentanamide | 2,2,2-Trimethylacetamide | P0819 | HMS1763O22 | XIPFMBOWZXULIA-UHFFFAOYSA- | A9605 | NSC17584 | NSC-17584 | pivalic acid amide | AC-907/25014088 | TAY | NSC 17584 | .ALPHA.,.ALPHA.-DIMETHYLPROPIONAMIDE | FES86MR7ZI | Propanamide, 2,2-dime

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

neopentanamide | 2,2,2-Trimethylacetamide | P0819 | HMS1763O22 | XIPFMBOWZXULIA-UHFFFAOYSA- | A9605 | NSC17584 | NSC-17584 | pivalic acid amide | AC-907/25014088 | TAY | NSC 17584 | .ALPHA.,.ALPHA.-DIMETHYLPROPIONAMIDE | FES86MR7ZI | Propanamide, 2,2-dime

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488181754

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181754

Sourires canoniques

CC(C)(C)C(=O)N

IUPAC Name

2,2-dimethylpropanamide

InChIKey

XIPFMBOWZXULIA-UHFFFAOYSA-N

INCHI

1S/C5H11NO/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7)

Isomères SMILES

CC(C)(C)C(=O)N

WGK Allemagne

3

PubChem CID

12957

Poids moléculaire

101.15

Beilstein

2320

Reaxy-Rn

1742147

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 Primary 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: Primary carboxylic acid amides
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Primary carboxylic acid amide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as primary carboxylic acid amides. These are compounds comprising primary carboxylic acid amide functional group, with the general structure RC(=O)NH2.
• 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

Cibles associées (non humaines)

Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Point d'ébullition (°C): 212 °C
• Point de fusion (°C): 153 - 157°C
• Poids moléculaire: 101.150 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 101.084 Da
• Monoisotopic Mass: 101.084 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 80.600
• 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