dl-2,5-Difluorophenylalanine - ≥97% , CAS No.32133-38-3

CAS: 32133-38-3 Cat. No.: D351829 Fórmula: C₉H₉F₂NO₂ Peso molecular: 201.17 Número EC: 670-835-9

GRADE & PURITY ≥97%

Synonyms

2-amino-3-(2,5-difluorophenyl)propanoic Acid | 2,5-difluorophenylalanine | FT-0654267 | AB33482 | dl-2,5-Difluorophenylalanine | 2,5-Difluoro-DL-phenylalanine | 2-amino-3-(2,5-difluorophenyl)propanoicAcid | 2-Amino-3-(2,5-difluorophenyl)propionic acid | A

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-amino-3-(2,5-difluorophenyl)propanoic Acid | 2,5-difluorophenylalanine | FT-0654267 | AB33482 | dl-2,5-Difluorophenylalanine | 2,5-Difluoro-DL-phenylalanine | 2-amino-3-(2,5-difluorophenyl)propanoicAcid | 2-Amino-3-(2,5-difluorophenyl)propionic acid | A

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488192863

Sonrisas canónicas

C1=CC(=C(C=C1F)CC(C(=O)O)N)F

IUPAC Name

2-amino-3-(2,5-difluorophenyl)propanoic acid

InChIKey

YHYQITHAFYELNW-UHFFFAOYSA-N

INCHI

1S/C9H9F2NO2/c10-6-1-2-7(11)5(3-6)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)

Isómeros SMILES

C1=CC(=C(C=C1F)CC(C(=O)O)N)F

Peso molecular

201.17

Reaxy-Rn

2940094

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2940094&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Phenylalanine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Phenylalanine and derivatives
• Alternative Parents: Phenylpropanoic acids Amphetamines and derivatives Alpha amino acids Fluorobenzenes Aralkylamines Aryl fluorides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - Aralkylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organofluoride - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

• Punto de fusión (°C): 252-253
• Peso molecular: 201.170 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 201.06 Da
• Monoisotopic Mass: 201.06 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 213.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1