2-(3,4-DIFLUOROFENIL)ETANAMINA - ≥97% , CAS No.220362-31-2

CAS: 220362-31-2 Cat. No.: D168686 Fórmula: C₈H₉F₂N Peso molecular: 157.16 Número CE: 851-707-3

GRADE & PURITY ≥97%

Synonyms

3,4-Difluoro-benzeneethanamine | 3,4-difluorophenylethylamine | MFCD01529877 | AKOS000162430 | DMXDNYQJKIUMMR-UHFFFAOYSA-N | DS-6223 | DTXSID70392747 | SCHEMBL631580 | Benzeneethanamine, 3,4-difluoro- | 2-(3, 4-Difluorophenyl)ethanamine | 2-(3,4-difluorop

Storage

Armazenar a 2-8°C

Shipped In

Gelo húmido

Specifications

Sinónimos

3,4-Difluoro-benzeneethanamine | 3,4-difluorophenylethylamine | MFCD01529877 | AKOS000162430 | DMXDNYQJKIUMMR-UHFFFAOYSA-N | DS-6223 | DTXSID70392747 | SCHEMBL631580 | Benzeneethanamine, 3,4-difluoro- | 2-(3, 4-Difluorophenyl)ethanamine | 2-(3,4-difluorop

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Armazenar a 2-8°C

Enviado em

Gelo húmido

Pureza

≥97%

Nomes e identificadores

• Sorrisos canónicos: C1=CC(=C(C=C1CCN)F)F
• IUPAC Name: 2-(3,4-difluorophenyl)ethanamine
• InChIKey: DMXDNYQJKIUMMR-UHFFFAOYSA-N
• INCHI: 1S/C8H9F2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3-4,11H2
• SMILES isoméricas: C1=CC(=C(C=C1CCN)F)F
• Peso molecular: 157.16
• Reaxy-Rn: 7368546
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7368546&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenethylamines
• Alternative Parents: 2-arylethylamines Fluorobenzenes Aralkylamines Aryl fluorides Organofluorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenethylamine - 2-arylethylamine - Fluorobenzene - Halobenzene - Aralkylamine - Aryl halide - Aryl fluoride - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Amine - Primary amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
• 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

• Sensibilidade: Light sensitive
• Peso molecular: 157.160 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 157.07 Da
• Monoisotopic Mass: 157.07 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 119.000
• 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