(S)-1-(3-Fluorophenyl)ethanamine - ≥97% , CAS No.444643-09-8

CAS: 444643-09-8 Cat. No.: S193436 Peso molecular: 139.17 Número EC: 815-572-4 PubChem CID: 7127576

GRADE & PURITY ≥97%

Synonyms

(1S)-1-(3-Fluorophenyl)ethylamine | (1S)-1-(3-fluorophenyl)ethanamine | (S)-1-(3-FLUOROPHENYL)ETHYLAMINE | (s)-1-(3-fluoro-phenyl)-ethylamine | SCHEMBL781357 | (1S)-1-(3-fluorophenyl)ethan-1-amine | A-methyl-, ( | DS-2611 | (1S)-1-(3-Fluorphenyl)ethanamin

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

(1S)-1-(3-Fluorophenyl)ethylamine | (1S)-1-(3-fluorophenyl)ethanamine | (S)-1-(3-FLUOROPHENYL)ETHYLAMINE | (s)-1-(3-fluoro-phenyl)-ethylamine | SCHEMBL781357 | (1S)-1-(3-fluorophenyl)ethan-1-amine | A-methyl-, ( | DS-2611 | (1S)-1-(3-Fluorphenyl)ethanamin

Especificaciones y pureza

≥97%

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

≥97%

Nombres e identificadores

• Pubchem Sid: 504764709
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764709
• Sonrisas canónicas: CC(C1=CC(=CC=C1)F)N
• IUPAC Name: (1S)-1-(3-fluorophenyl)ethanamine
• InChIKey: ASNVMKIDRJZXQZ-LURJTMIESA-N
• INCHI: 1S/C8H10FN/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3/t6-/m0/s1
• Isómeros SMILES: C[C@@H](C1=CC(=CC=C1)F)N
• PubChem CID: 7127576
• Peso molecular: 139.17

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aralkylamines Aryl fluorides Organofluorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aralkylamine - Fluorobenzene - Aryl halide - Aryl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 139.170 g/mol
• XLogP3: 1.600
• 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: 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