(3-Amino-6-bromopyrazin-2-yl)methanol - ≥96% , CAS No.1260880-59-8

CAS: 1260880-59-8 Cat. No.: M734933 Peso molecular: 204.02 PubChem CID: 71463737

GRADE & PURITY ≥96%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: C1=C(N=C(C(=N1)N)CO)Br
• IUPAC Name: (3-amino-6-bromopyrazin-2-yl)methanol
• InChIKey: SWHROBJGQFGJRI-UHFFFAOYSA-N
• INCHI: 1S/C5H6BrN3O/c6-4-1-8-5(7)3(2-10)9-4/h1,10H,2H2,(H2,7,8)
• Isómeros SMILES: C1=C(N=C(C(=N1)N)CO)Br
• PubChem CID: 71463737
• Peso molecular: 204.02

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyrazines
• Alternative Parents: Imidolactams Aryl bromides Heteroaromatic compounds Azacyclic compounds Primary amines Primary alcohols Organobromides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrazine - Aryl bromide - Aryl halide - Imidolactam - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Aromatic alcohol - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminopyrazines. These are organic compounds containing an amino group attached to a pyrazine 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: 204.020 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 202.969 Da
• Monoisotopic Mass: 202.969 Da
• Topological Polar Surface Area: 72.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 113.000
• 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