1-(2-Fluorophenyl)ethanamine - ≥97% , CAS No.74788-44-6

CAS: 74788-44-6 Cat. No.: F194877 Summenformel: C₈H₁₀FN Molekulargewicht: 139.17 EG-Nummer: 689-345-1

GRADE & PURITY ≥97%

Synonyms

A812969 | DIWHJJUFVGEXGS-UHFFFAOYSA-N | AKOS017268735 | SY002510 | FT-0676823 | SCHEMBL310968 | SY008657 | 1-(2-fluorophenyl)ethan-1-amine | C8H10FN | PS-9067 | SCHEMBL23139487 | Benzenemethanamine, 2-fluoro-.alpha.-methyl- | DTXSID30382043 | (+/-)-1-(2-f

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

A812969 | DIWHJJUFVGEXGS-UHFFFAOYSA-N | AKOS017268735 | SY002510 | FT-0676823 | SCHEMBL310968 | SY008657 | 1-(2-fluorophenyl)ethan-1-amine | C8H10FN | PS-9067 | SCHEMBL23139487 | Benzenemethanamine, 2-fluoro-.alpha.-methyl- | DTXSID30382043 | (+/-)-1-(2-f

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

528753951

Kanonisches Lächeln

CC(C1=CC=CC=C1F)N

IUPAC Name

1-(2-fluorophenyl)ethanamine

InChIKey

DIWHJJUFVGEXGS-UHFFFAOYSA-N

INCHI

1S/C8H10FN/c1-6(10)7-4-2-3-5-8(7)9/h2-6H,10H2,1H3

Isomere SMILES

CC(C1=CC=CC=C1F)N

Molekulargewicht

139.17

Reaxy-Rn

7566964

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7566964&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aralkylamines Aryl fluorides Organopnictogen compounds Organofluorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aralkylamine - Fluorobenzene - Aryl halide - Aryl fluoride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 139.170 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 139.08 Da
• Monoisotopic Mass: 139.08 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 105.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1