Pivalamide - ≥98% , CAS No.754-10-9

CAS: 754-10-9 Cat. No.: P160454 분자식: C₅H₁₁NO 분자량: 101.15 Beilstein Registry Number: 2320 EC 번호: 212-043-4 PubChem CID: 12957

등급 & 순도 ≥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

사양

동의어

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

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488181754

Pubchem Sid Url

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

정식 스마일

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)

이성체 SMILES

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

WGK 독일

3

PubChem CID

12957

분자량

101.15

Beilstein

2320

Reaxy-Rn

1742147

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 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
• 분류: 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
• 설명: 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

관련 대상(비인간)

Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 끓는점(°C): 212 °C
• 녹는점(°C): 153 - 157°C
• 분자량: 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