(S)-1-(4-Bromophenyl)-2,2,2-trifluoroethanamine hydrochloride - ≥98% , CAS No.336105-43-2

CAS: 336105-43-2 Cat. No.: S192811 Peso molecular: 290.51 PubChem CID: 66511989

GRADE & PURITY ≥98%

Synonyms

GS-7174 | (1S)-1-(4-BROMOPHENYL)-2,2,2-TRIFLUORO-ETHANAMINE HCL | A821870 | MFCD07374367 | SCHEMBL4513936 | AKOS015926055 | (1S)-1-(4-Bromophenyl)-2,2,2-trifluoroethanamine;hydrochloride | (S)-1-(4-BROMOPHENYL)-2,2,2-TRIFLUOROETHYLAMINE HCL; | (S)-1-(4-BR

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

GS-7174 | (1S)-1-(4-BROMOPHENYL)-2, 2, 2-TRIFLUORO-ETHANAMINE HCL | A821870 | MFCD07374367 | SCHEMBL4513936 | AKOS015926055 | (1S)-1-(4-Bromophenyl)-2, 2, 2-trifluoroethanamine;hydrochloride | (S)-1-(4-BROMOPHENYL)-2, 2, 2-TRIFLUOROETHYLAMINE HCL; | (S)-1-(4-BR

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504771822
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771822
• Sonrisas canónicas: C1=CC(=CC=C1C(C(F)(F)F)N)Br.Cl
• IUPAC Name: (1S)-1-(4-bromophenyl)-2,2,2-trifluoroethanamine;hydrochloride
• InChIKey: XESDERGPILUSRV-FJXQXJEOSA-N
• INCHI: 1S/C8H7BrF3N.ClH/c9-6-3-1-5(2-4-6)7(13)8(10,11)12;/h1-4,7H,13H2;1H/t7-;/m0./s1
• Isómeros SMILES: C1=CC(=CC=C1[C@@H](C(F)(F)F)N)Br.Cl
• PubChem CID: 66511989
• Peso molecular: 290.51

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: Bromobenzenes
• Alternative Parents: Aralkylamines Aryl bromides Organofluorides Organobromides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromobenzene - Aralkylamine - Aryl bromide - Aryl halide - Alkyl fluoride - Primary amine - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Primary aliphatic amine - Hydrochloride - Hydrocarbon derivative - Organic nitrogen compound - Amine - Alkyl halide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom 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: 290.510 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 288.948 Da
• Monoisotopic Mass: 288.948 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 163.000
• 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: 2

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