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

CAS: 263396-44-7 Cat. No.: D192411 분자식: C₁₀H₁₀N₂O₂ 분자량: 190.2 EC 번호: 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

동의어

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

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

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순수함

≥98%

이름과 식별자

Pubchem Sid

508810422

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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

분자량

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
    • 분류 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
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Slightly soluble in water.
• 분자량: 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