(5-Bromofuran-2-yl)methanamine - ≥95% , CAS No.263169-37-5

CAS: 263169-37-5 Cat. No.: B1069602 Fórmula: C₅H₆BrNO Peso molecular: 176.01 Número CE: 968-352-6 PubChem CID: 16765323

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥95%

Nomes e identificadores

• Sorrisos canónicos: C1=C(OC(=C1)Br)CN
• IUPAC Name: (5-bromofuran-2-yl)methanamine
• InChIKey: PUZCAYXIVIOWTO-UHFFFAOYSA-N
• INCHI: 1S/C5H6BrNO/c6-5-2-1-4(3-7)8-5/h1-2H,3,7H2
• SMILES isoméricas: C1=C(OC(=C1)Br)CN
• PubChem CID: 16765323
• Peso molecular: 176.01

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Aryl bromides Heteroaromatic compounds Furans Oxacyclic compounds Organopnictogen compounds Organooxygen compounds Organobromides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aralkylamine - Aryl bromide - Aryl halide - Furan - Heteroaromatic compound - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Primary amine - Organooxygen compound - Organobromide - Organohalogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl 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

Propriedades químicas e físicas

• Peso molecular: 176.010 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 174.963 Da
• Monoisotopic Mass: 174.963 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 78.800
• 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