N-(3-Chloro-2-methylphenyl)-4-hydrazino-4-oxobutanamide , CAS No.315249-24-2

CAS: 315249-24-2 Cat. No.: N1011526 Peso molecular: 255.700

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NN
• IUPAC Name: N-(3-chloro-2-methylphenyl)-4-hydrazinyl-4-oxobutanamide
• InChIKey: WTGANYGATQEHGY-UHFFFAOYSA-N
• INCHI: 1S/C11H14ClN3O2/c1-7-8(12)3-2-4-9(7)14-10(16)5-6-11(17)15-13/h2-4H,5-6,13H2,1H3,(H,14,16)(H,15,17)
• Peso molecular: 255.700

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: N-arylamides Toluenes Chlorobenzenes Fatty amides Aryl chlorides Secondary carboxylic acid amides Carboxylic acid hydrazides Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - N-arylamide - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Fatty amide - Fatty acyl - Carboxamide group - Carboxylic acid hydrazide - Secondary carboxylic acid amide - Carboxylic acid derivative - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• 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: 255.700 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 255.077 Da
• Monoisotopic Mass: 255.077 Da
• Topological Polar Surface Area: 84.200 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 286.000
• 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