Diacetamide - ≥97% , CAS No.625-77-4

CAS: 625-77-4 Cat. No.: D469464 Summenformel: (CH₃CO)₂NH Molekulargewicht: 101.1

QUALITÄT & REINHEIT ≥97%

Synonyms

M3GE4E3PRK | NCIOpen2_003809 | EINECS 210-910-1 | AKOS000121396 | AS-56342 | Bisacetylamine | DTXSID10211549 | QSPL 004 | DIACETAMIDE | N-Acetylacetamide | N-Acetyl-acetamide | NN-Diacetylamine | D97387 | Diacetamide, 97% | Diacetylamine | InChI=1/C4H7NO2

Storage

Room temperature

Spezifikationen

Synonyme

M3GE4E3PRK | NCIOpen2_003809 | EINECS 210-910-1 | AKOS000121396 | AS-56342 | Bisacetylamine | DTXSID10211549 | QSPL 004 | DIACETAMIDE | N-Acetylacetamide | N-Acetyl-acetamide | NN-Diacetylamine | D97387 | Diacetamide, 97% | Diacetylamine | InChI=1/C4H7NO2

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

CC(=O)NC(=O)C

IUPAC Name

N-acetylacetamide

InChIKey

ZSBDPRIWBYHIAF-UHFFFAOYSA-N

INCHI

1S/C4H7NO2/c1-3(6)5-4(2)7/h1-2H3,(H,5,6,7)

Isomere SMILES

CC(=O)NC(=O)C

WGK Deutschland

3

Molekulargewicht

101.1

Reaxy-Rn

1747662

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1747662&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Ebene5 Carboxylic acid imides
          • Ebene6 N-unsubstituted carboxylic acid imides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid imides
• Direct Parent: N-unsubstituted carboxylic acid imides
• Alternative Parents: Dicarboximides Acetamides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetamide - Carboxylic acid imide, n-unsubstituted - Dicarboximide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as n-unsubstituted carboxylic acid imides. These are compounds comprising an N-unsubstituted carboxylic acid imide group, with the general structure R1N(C(R2)=O)C(R3)=O (R1,R2,R3=H, alkyl, aryl).
• 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

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Mus musculus (284745 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 222-223 °C (lit.)
• Schmelzpunkt (°C): 75.5-76.5 °C (lit.)
• Molekulargewicht: 101.100 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 101.048 Da
• Monoisotopic Mass: 101.048 Da
• Topological Polar Surface Area: 46.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 85.900
• 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