Boc-4-fluoro-L-phenylglycine - ≥98% , CAS No.142186-36-5

CAS: 142186-36-5 Cat. No.: B356466 Peso molecular: 269.28 Número EC: 975-086-4

GRADE & PURITY ≥98%

Synonyms

BOC-4-FLUORO-L-PHENYLGLYCINE | (2S)-[(tert-butoxycarbonyl)amino](4-fluorophenyl)ethanoic acid | DTXSID60370337 | SCHEMBL1162807 | (2s)-[(tert-butoxycarbonyl)amino](4-fluorophenyl)acetic acid | (2S)-2-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylami

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

BOC-4-FLUORO-L-PHENYLGLYCINE | (2S)-[(tert-butoxycarbonyl)amino](4-fluorophenyl)ethanoic acid | DTXSID60370337 | SCHEMBL1162807 | (2s)-[(tert-butoxycarbonyl)amino](4-fluorophenyl)acetic acid | (2S)-2-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylami

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504761154
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761154
• Sonrisas canónicas: CC(C)(C)OC(=O)NC(C1=CC=C(C=C1)F)C(=O)O
• IUPAC Name: (2S)-2-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
• InChIKey: IEQBOUSLFRLKKX-JTQLQIEISA-N
• INCHI: 1S/C13H16FNO4/c1-13(2,3)19-12(18)15-10(11(16)17)8-4-6-9(14)7-5-8/h4-7,10H,1-3H3,(H,15,18)(H,16,17)/t10-/m0/s1
• Isómeros SMILES: CC(C)(C)OC(=O)N[C@@H](C1=CC=C(C=C1)F)C(=O)O
• Peso molecular: 269.28
• Reaxy-Rn: 10006394
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10006394&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

• 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
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Fluorobenzenes Aryl fluorides Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

• Sensibilidad: Light sensitive
• Peso molecular: 269.270 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 269.106 Da
• Monoisotopic Mass: 269.106 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 332.000
• 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