2-chloro-N'-hydroxyethanimidamide , CAS No.3272-96-6

CAS: 3272-96-6 Cat. No.: C961214 Formule: C₂H₅ClN₂O Poids moléculaire: 108.53 Numéro CE: 838-348-8 PubChem CID: 6522025

Storage

Room temperature

Specifications

Conditions de stockage de stockage

Room temperature

Noms et identifiants

• Sourires canoniques: C(C(=NO)N)Cl
• IUPAC Name: 2-chloro-N'-hydroxyethanimidamide
• InChIKey: XCARGDPHZYJCMU-UHFFFAOYSA-N
• INCHI: 1S/C2H5ClN2O/c3-1-2(4)5-6/h6H,1H2,(H2,4,5)
• Isomères SMILES: C(/C(=N/O)/N)Cl
• PubChem CID: 6522025
• Poids moléculaire: 108.53

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amidines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Amidoximes
• Alternative Parents: Organochlorides Organic oxygen compounds Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Amidoxime - Organic oxygen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as amidoximes. These are amidines, in which the imino nitrogen is substituted by a hydroxy 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

Propriétés chimiques et physiques

• Poids moléculaire: 108.530 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 108.009 Da
• Monoisotopic Mass: 108.009 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 62.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1