H-D-Phg-OtBu - ≥98% , CAS No.65715-93-7

CAS: 65715-93-7 Cat. No.: H194432 Peso molecular: 207.27 Número EC: 974-794-0

GRADE & PURITY ≥98%

Synonyms

AKOS010393127 | tert-butyl (R)-2-amino-2-phenylacetate | TERT-BUTYL (2R)-2-AMINO-2-PHENYLACETATE | (R)-alpha-(t-butoxycarbonyl)benzylamine | (R)-tert-butyl-2-amino-2-phenylacetate | tert-butyl (2R)-amino(phenyl)acetate | DS-17455 | PD197158 | EN300-109401

Shipped In

Normal

Specifications

Sinónimos

AKOS010393127 | tert-butyl (R)-2-amino-2-phenylacetate | TERT-BUTYL (2R)-2-AMINO-2-PHENYLACETATE | (R)-alpha-(t-butoxycarbonyl)benzylamine | (R)-tert-butyl-2-amino-2-phenylacetate | tert-butyl (2R)-amino(phenyl)acetate | DS-17455 | PD197158 | EN300-109401

Especificaciones y pureza

≥98%

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488196038
• Sonrisas canónicas: CC(C)(C)OC(=O)C(C1=CC=CC=C1)N
• IUPAC Name: tert-butyl (2R)-2-amino-2-phenylacetate
• InChIKey: HJLYKRGXTOVWFL-SNVBAGLBSA-N
• INCHI: 1S/C12H17NO2/c1-12(2,3)15-11(14)10(13)9-7-5-4-6-8-9/h4-8,10H,13H2,1-3H3/t10-/m1/s1
• Isómeros SMILES: CC(C)(C)OC(=O)[C@@H](C1=CC=CC=C1)N
• Peso molecular: 207.27
• Reaxy-Rn: 4134678
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4134678&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 Alpha amino acid esters

• 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: Alpha amino acid esters
• Alternative Parents: Aralkylamines Benzene and substituted derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid ester - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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 ebullición (°C): 280.2°C at 760 mmHg
• Peso molecular: 207.270 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 207.126 Da
• Monoisotopic Mass: 207.126 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 214.000
• 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