4-Fluorophenylethylammonium Chloride - ≥99%(4 Times Purification) , CAS No.459-19-8

CAS: 459-19-8 Cat. No.: F493198 Molecular Weight: 175.63 EC Number: 207-285-2 PubChem CID: 197725

GRADE & PURITY ≥99%(4 Times Purification)

Synonyms

D97693 | p-Fluorophenethylamine hydrochloride | 4-Fluorophenethylamine hydrochloride, 97% | F1256 | Phenethylamine, p-fluoro-, hydrochloride | 4-Fluoro-phenethylammonium chloride | 2-(4-Fluorophenyl)ethan-1-amine hydrochloride | A826927 | 4-Fluorophenethy

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

D97693 | p-Fluorophenethylamine hydrochloride | 4-Fluorophenethylamine hydrochloride, 97% | F1256 | Phenethylamine, p-fluoro-, hydrochloride | 4-Fluoro-phenethylammonium chloride | 2-(4-Fluorophenyl)ethan-1-amine hydrochloride | A826927 | 4-Fluorophenethy

Specifications & Purity

≥99%(4 Times Purification)

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥99%(4 Times Purification)

Names and Identifiers

• Pubchem Sid: 504757790
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757790
• Canonical Smiles: C1=CC(=CC=C1CCN)F.Cl
• IUPAC Name: 2-(4-fluorophenyl)ethanamine;hydrochloride
• InChIKey: LDSVEOCTJMJEQM-UHFFFAOYSA-N
• INCHI: 1S/C8H10FN.ClH/c9-8-3-1-7(2-4-8)5-6-10;/h1-4H,5-6,10H2;1H
• Isomeric SMILES: C1=CC(=CC=C1CCN)F.Cl
• WGK Germany: 3
• PubChem CID: 197725
• Molecular Weight: 175.63

Taxonomic Classification

Taxonomy Tree

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

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

Chemical and Physical Properties

• Solubility: Soluble in DMF, DMSO et al
• Sensitivity: Moisture sensitive；air sensitive；light sensitive
• Melt Point(°C): 208 °C
• Molecular Weight: 175.630 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 175.056 Da
• Monoisotopic Mass: 175.056 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• 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: 2

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