(S)-1-(4-Fluorophenyl)ethanamine - ≥98% , CAS No.66399-30-2

CAS: 66399-30-2 Cat. No.: S589825 Summenformel: C₈H₁₀FN Molekulargewicht: 139.17 EG-Nummer: 679-261-3

GRADE & PURITY ≥98%

Synonyms

J-500389 | PS-9383 | (S-)-1-(4-fluorophenyl)ethylamine | (S)-1-(4-Fluorophenyl)ethylamine | (S)-1-(4-fluoro-phenyl)ethylamine | (S)-1-(4-FLUORO-PHENYL)-ETHYLAMINE | (S)-1-(4-fluorophenyl)-ethylamine | (S)-4-Fluoro-alpha-methylbenzylamine, ChiPros(R), prod

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

J-500389 | PS-9383 | (S-)-1-(4-fluorophenyl)ethylamine | (S)-1-(4-Fluorophenyl)ethylamine | (S)-1-(4-fluoro-phenyl)ethylamine | (S)-1-(4-FLUORO-PHENYL)-ETHYLAMINE | (S)-1-(4-fluorophenyl)-ethylamine | (S)-4-Fluoro-alpha-methylbenzylamine, ChiPros(R), prod

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508806779

Kanonisches Lächeln

CC(C1=CC=C(C=C1)F)N

IUPAC Name

(1S)-1-(4-fluorophenyl)ethanamine

InChIKey

QGCLEUGNYRXBMZ-LURJTMIESA-N

INCHI

1S/C8H10FN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m0/s1

Isomere SMILES

C[C@@H](C1=CC=C(C=C1)F)N

UN-Nummer

2735

Verpackungsgruppe

II

Molekulargewicht

139.17

Reaxy-Rn

2802417

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802417&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

• Empfindlichkeit: Air sensitive
• Siedepunkt (°C): 72 °C/21 mmHg
• Schmelzpunkt (°C): 68 °C
• 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: 97.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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