N-allyl-N'-formylformic hydrazide - ≥95% , CAS No.216854-53-4

CAS: 216854-53-4 Cat. No.: N1295294 Summenformel: C₅H₈N₂O₂ Molekulargewicht: 128.13 PubChem CID: 3418523

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

C=CCN(C=O)NC=O

IUPAC Name

N-[formyl(prop-2-enyl)amino]formamide

InChIKey

DQMKUGFVTHUUDL-UHFFFAOYSA-N

INCHI

1S/C5H8N2O2/c1-2-3-7(5-9)6-4-8/h2,4-5H,1,3H2,(H,6,8)

Isomere SMILES

C=CCN(C=O)NC=O

PubChem CID

3418523

Molekulargewicht

128.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Ebene5 Carboxylic acid hydrazides
          • Ebene6 Diacylhydrazines
            • Ebene7 N'-substituted-N,N'-diacylhydrazines
              • Ebene8 1,2-diacyl-1-alkylhydrazines

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid hydrazides - Diacylhydrazines - N'-substituted-N,N'-diacylhydrazines
• Direct Parent: 1,2-diacyl-1-alkylhydrazines
• Alternative Parents: Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,2-diacyl-1-alkylhydrazine - Organic nitrogen compound - Organic oxygen 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 1,2-diacyl-1-alkylhydrazines. These are hydrazine derivatives where the hydrazine group is N-acylated at both nitrogen atoms, one of which also carries an alkyl group.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 128.130 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 128.059 Da
• Monoisotopic Mass: 128.059 Da
• Topological Polar Surface Area: 49.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 114.000
• 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