N-Ethyl-4-fluoroaniline - ≥98% , CAS No.405-67-4

CAS: 405-67-4 Cat. No.: N193269 Peso molecular: 139.17 Número EC: 831-433-0

GRADE & PURITY ≥98%

Synonyms

AKOS000239070 | 4-Fluoro-N-ethylaniline | N-ethyl-4-fluoroaniline | N-ethyl-4-fluoro-aniline | N-ethyl-N-(4-fluorophenyl)amine | SCHEMBL378330 | Benzenamine, N-ethyl-4-fluoro- | Ethyl-(4-fluoro-phenyl)-amine | MBSPOYRKNIDVOA-UHFFFAOYSA-N | FT-0683490 | BS

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AKOS000239070 | 4-Fluoro-N-ethylaniline | N-ethyl-4-fluoroaniline | N-ethyl-4-fluoro-aniline | N-ethyl-N-(4-fluorophenyl)amine | SCHEMBL378330 | Benzenamine, N-ethyl-4-fluoro- | Ethyl-(4-fluoro-phenyl)-amine | MBSPOYRKNIDVOA-UHFFFAOYSA-N | FT-0683490 | BS

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCNC1=CC=C(C=C1)F
• IUPAC Name: N-ethyl-4-fluoroaniline
• InChIKey: MBSPOYRKNIDVOA-UHFFFAOYSA-N
• INCHI: 1S/C8H10FN/c1-2-10-8-5-3-7(9)4-6-8/h3-6,10H,2H2,1H3
• Isómeros SMILES: CCNC1=CC=C(C=C1)F
• Peso molecular: 139.17
• Reaxy-Rn: 2716143
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2716143&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Aralkylamines
          • Level6 Phenylalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Aralkylamines
• Direct Parent: Phenylalkylamines
• Alternative Parents: Aniline and substituted anilines Secondary alkylarylamines Fluorobenzenes Aryl fluorides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Halobenzene - Fluorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Secondary amine - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylalkylamines. These are organic amines where the amine group is secondary and linked on one end to a phenyl group and on the other end, to an alkyl 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

Propiedades químicas y físicas

• Peso molecular: 139.170 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 139.08 Da
• Monoisotopic Mass: 139.08 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 87.300
• 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