D-3-Cyanophenylalanine - ≥98% , CAS No.263396-43-6

CAS: 263396-43-6 Cat. No.: D183276 分子式: C₁₀H₁₀N₂O₂ 分子量: 190.20

GRADE & PURITY ≥98%

Synonyms

(R)-2-Amino-3-(3-cyanophenyl)propanoic acid | MFCD01631985 | AKOS006346478 | DS-4354 | AC-9888 | D-3-Cyanophenylalanine | ZHUOMTMPTNZOJE-SECBINFHSA-N | A818393 | D-3-Cyanophe | H-D-Phe(3-CN)-OH | (2R)-2-amino-3-(3-cyanophenyl)propanoic acid | 3-Cyano-D-Ph

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

同義語

(R)-2-Amino-3-(3-cyanophenyl)propanoic acid | MFCD01631985 | AKOS006346478 | DS-4354 | AC-9888 | D-3-Cyanophenylalanine | ZHUOMTMPTNZOJE-SECBINFHSA-N | A818393 | D-3-Cyanophe | H-D-Phe(3-CN)-OH | (2R)-2-amino-3-(3-cyanophenyl)propanoic acid | 3-Cyano-D-Ph

仕様と純度

≥98%

保管条件

Protected from light,Room temperature,Argon charged

入荷

Normal

純度

≥98%

名前と識別子

カノニカル・スマイル

C1=CC(=CC(=C1)C#N)CC(C(=O)O)N

IUPAC Name

(2R)-2-amino-3-(3-cyanophenyl)propanoic acid

InChIKey

ZHUOMTMPTNZOJE-SECBINFHSA-N

INCHI

1S/C10H10N2O2/c11-6-8-3-1-2-7(4-8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m1/s1

異性体SMILES

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

分子量

190.20

Reaxy-Rn

4138247

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4138247&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 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
• 分類: 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 D-alpha-amino acids Benzonitriles Aralkylamines Quaternary ammonium salts Carboxylic acid salts Nitriles Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Monoalkylamines Carbonyl compounds Organic oxides Organic salts Organic zwitterions
• 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 - Quaternary ammonium salt - Carboxylic acid salt - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxygen compound - Amine - Primary aliphatic amine - Organic zwitterion - Organic nitrogen compound - Carbonyl group - Organic oxide - Cyanide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic salt - Aromatic homomonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 分子量: 190.200 g/mol
• XLogP3: -1.800
• 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: 256.000
• 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