2-cyano-N'-(2-cyanoacetyl)acetohydrazide - ≥90% , CAS No.73673-39-9

CAS: 73673-39-9 Cat. No.: C1280462 Peso molecular: 166.14 PubChem CID: 2768532

GRADE & PURITY ≥90%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥90%

Nombres e identificadores

• Sonrisas canónicas: C(C#N)C(=O)NNC(=O)CC#N
• IUPAC Name: 2-cyano-N'-(2-cyanoacetyl)acetohydrazide
• InChIKey: KBBHBYYQAYSQQA-UHFFFAOYSA-N
• INCHI: 1S/C6H6N4O2/c7-3-1-5(11)9-10-6(12)2-4-8/h1-2H2,(H,9,11)(H,10,12)
• Isómeros SMILES: C(C#N)C(=O)NNC(=O)CC#N
• PubChem CID: 2768532
• Peso molecular: 166.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid hydrazides
          • Level6 Diacylhydrazines

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid hydrazides
• Direct Parent: Diacylhydrazines
• Alternative Parents: Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Diacylhydrazine - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diacylhydrazines. These are carboxylic acid hydrazides with the formula RC(=O)NNC(R')=O ( R,R'=H or organyl 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

Propiedades químicas y físicas

• Peso molecular: 166.140 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 166.049 Da
• Monoisotopic Mass: 166.049 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 248.000
• 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