D-4-cianofenilalanina - ≥98% , CAS No.263396-44-7

CAS: 263396-44-7 Cat. No.: D192411 Fórmula: C₁₀H₁₀N₂O₂ Peso molecular: 190.2 Número CE: 892-443-9

GRADE & PURITY ≥98%

Synonyms

AC-7941 | AKOS016844035 | h-4-cyano-phe-oh | KWIPUXXIFQQMKN-SECBINFHSA-N | MFCD00270364 | D-4-Cyanophe | (2R)-2-amino-3-(4-cyanophenyl)propanoic acid | EN300-761824 | D-4-Cyanophenylalanine (H-D-Phe(4-CN)-OH) | 4-Cyano-D-Phenylalanine | (R)-2-Amino-3-(4-c

Storage

Armazenar a 2-8°C, protegido da luz

Shipped In

Gelo húmido

Specifications

Sinónimos

AC-7941 | AKOS016844035 | h-4-cyano-phe-oh | KWIPUXXIFQQMKN-SECBINFHSA-N | MFCD00270364 | D-4-Cyanophe | (2R)-2-amino-3-(4-cyanophenyl)propanoic acid | EN300-761824 | D-4-Cyanophenylalanine (H-D-Phe(4-CN)-OH) | 4-Cyano-D-Phenylalanine | (R)-2-Amino-3-(4-c

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Armazenar a 2-8°C, protegido da luz

Enviado em

Gelo húmido

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 508810422
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508810422
• Sorrisos canónicos: C1=CC(=CC=C1CC(C(=O)O)N)C#N
• IUPAC Name: (2R)-2-amino-3-(4-cyanophenyl)propanoic acid
• InChIKey: KWIPUXXIFQQMKN-SECBINFHSA-N
• INCHI: 1S/C10H10N2O2/c11-6-8-3-1-7(2-4-8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m1/s1
• SMILES isoméricas: C1=CC(=CC=C1C[C@H](C(=O)O)N)C#N
• Peso molecular: 190.2
• Reaxy-Rn: 3092592
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3092592&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe 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
• Classe: 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 D-alpha-amino acids Amphetamines and derivatives Benzonitriles Aralkylamines Amino acids Nitriles Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds 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 - D-alpha-amino acid - Benzonitrile - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Primary aliphatic amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Slightly soluble in water.
• Peso molecular: 190.200 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 190.074 Da
• Monoisotopic Mass: 190.074 Da
• Topological Polar Surface Area: 87.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 248.000
• 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