N-Hydroxybutyramidine , CAS No.27620-10-6

CAS: 27620-10-6 Cat. No.: N1007172 Formule: C₄H₁₀N₂O Poids moléculaire: 102.14 Numéro CE: 681-728-1 PubChem CID: 9582833

Storage

Room temperature

Specifications

Conditions de stockage de stockage

Room temperature

Noms et identifiants

Sourires canoniques

CCCC(=NO)N

IUPAC Name

N'-hydroxybutanimidamide

InChIKey

OPENCMFJZQABIY-UHFFFAOYSA-N

INCHI

1S/C4H10N2O/c1-2-3-4(5)6-7/h7H,2-3H2,1H3,(H2,5,6)

Isomères SMILES

CCC/C(=N/O)/N

PubChem CID

9582833

Poids moléculaire

102.14

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: Organopnictogen compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Amidoxime - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - 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: 102.140 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 102.079 Da
• Monoisotopic Mass: 102.079 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 70.100
• 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