2-Chloro-6-fluorophenethylamine - ≥95% , CAS No.149488-93-7

CAS: 149488-93-7 Cat. No.: B299928 Summenformel: C₈H₉ClFN Molekulargewicht: 173.62

GRADE & PURITY ≥95%

Synonyms

149488-93-7|2-CHLORO-6-FLUOROPHENETHYLAMINE|2-(2-chloro-6-fluorophenyl)ethanamine|Benzeneethanamine, 2-chloro-6-fluoro-|2-(2-Chloro-6-fluorophenyl)ethan-1-amine|2-(2-chloro-6-fluorophenyl)ethylamine|CHEMBL452901|SCHEMBL1197584|DTXSID10370120|NNEMMAAHBKHXL

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

149488-93-7 | 2-CHLORO-6-FLUOROPHENETHYLAMINE | 2-(2-chloro-6-fluorophenyl)ethanamine | Benzeneethanamine, 2-chloro-6-fluoro- | 2-(2-Chloro-6-fluorophenyl)ethan-1-amine | 2-(2-chloro-6-fluorophenyl)ethylamine | CHEMBL452901 | SCHEMBL1197584 | DTXSID10370120 | NNEMMAAHBKHXL

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 528756923
• Kanonisches Lächeln: C1=CC(=C(C(=C1)Cl)CCN)F
• IUPAC Name: 2-(2-chloro-6-fluorophenyl)ethanamine
• InChIKey: NNEMMAAHBKHXLP-UHFFFAOYSA-N
• INCHI: 1S/C8H9ClFN/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4-5,11H2
• Isomere SMILES: C1=CC(=C(C(=C1)Cl)CCN)F
• Molekulargewicht: 173.62
• Reaxy-Rn: 7422995
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7422995&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenethylamines
• Alternative Parents: 2-arylethylamines Fluorobenzenes Chlorobenzenes Aralkylamines Aryl fluorides Aryl chlorides Organopnictogen compounds Organofluorides Organochlorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenethylamine - 2-arylethylamine - Chlorobenzene - Fluorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Aryl fluoride - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Primary aliphatic amine - Amine - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Aromatic homomonocyclic compound
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 173.610 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 173.041 Da
• Monoisotopic Mass: 173.041 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 121.000
• 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