Pivalamide - ≥98% , CAS No.754-10-9

CAS: 754-10-9 Cat. No.: P160454 分子式: C₅H₁₁NO 分子量: 101.15 Beilstein Registry Number: 2320 EC番号: 212-043-4 PubChem CID: 12957

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488181754

パブケム・シド・ウル

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

カノニカル・スマイル

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)

異性体SMILES

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

WGKドイツ

3

PubChem CID

12957

分子量

101.15

Beilstein

2320

Reaxy-Rn

1742147

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 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
• 分類: 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
• 説明: 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

関連ターゲット（非人間）

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作用メカニズム

化学的性質と物理的性質

• 沸点（°C）: 212 °C
• 融点（°C）: 153 - 157°C
• 分子量: 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