2-[(6-Chloropyridazin-3-yl)amino]ethan-1-ol - ≥95% , CAS No.51947-89-8

CAS: 51947-89-8 Cat. No.: C1366186 Peso molecular: 173.6 Número EC: 837-143-0 PubChem CID: 582312

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=NN=C1NCCO)Cl
• IUPAC Name: 2-[(6-chloropyridazin-3-yl)amino]ethanol
• InChIKey: OCSNMMYFHUBJGA-UHFFFAOYSA-N
• INCHI: 1S/C6H8ClN3O/c7-5-1-2-6(10-9-5)8-3-4-11/h1-2,11H,3-4H2,(H,8,10)
• Isómeros SMILES: C1=CC(=NN=C1NCCO)Cl
• PubChem CID: 582312
• Peso molecular: 173.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyridazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyridazines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyridazines
• Alternative Parents: Secondary alkylarylamines Imidolactams Aryl chlorides Heteroaromatic compounds Azacyclic compounds Alkanolamines Primary alcohols Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyridazine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Imidolactam - Heteroaromatic compound - Alkanolamine - Secondary amine - Azacycle - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminopyridazines. These are organic compounds containing an amino group attached to a pyridazine ring.
• 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: 173.600 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 173.036 Da
• Monoisotopic Mass: 173.036 Da
• Topological Polar Surface Area: 58.000 Ų
• Heavy Atom Count: 11
• 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