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

CAS: 263396-44-7 Cat. No.: D192411 Formule: C₁₀H₁₀N₂O₂ Poids moléculaire: 190.2 Numéro 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

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

508810422

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508810422

Sourires canoniques

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

Isomères SMILES

C1=CC(=CC=C1C[C@H](C(=O)O)N)C#N

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Slightly soluble in water.
• Poids moléculaire: 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