L-3,4-Dichlorophenylalanine - ≥98% , CAS No.52794-99-7

CAS: 52794-99-7 Cat. No.: L184990 Summenformel: C₉H₉Cl₂NO₂ Molekulargewicht: 234.1 EG-Nummer: 113-660-0

GRADE & PURITY ≥98%

Synonyms

AC-5850 | A829255 | 3,4-dichlorophenylalanine | H-Phe(3,4-DiCl)-OH | L-3,4-Dichlorophenlalanine | AM82040 | DTXSID90967254 | AKOS012010566 | F12351 | (2S)-2-azanyl-3-(3,4-dichlorophenyl)propanoic acid | EN300-1168597 | MFCD00191203 | 3,4-Dichloro-L-phenyl

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

AC-5850 | A829255 | 3,4-dichlorophenylalanine | H-Phe(3,4-DiCl)-OH | L-3,4-Dichlorophenlalanine | AM82040 | DTXSID90967254 | AKOS012010566 | F12351 | (2S)-2-azanyl-3-(3,4-dichlorophenyl)propanoic acid | EN300-1168597 | MFCD00191203 | 3,4-Dichloro-L-phenyl

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504761614

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761614

Kanonisches Lächeln

C1=CC(=C(C=C1CC(C(=O)O)N)Cl)Cl

IUPAC Name

(2S)-2-amino-3-(3,4-dichlorophenyl)propanoic acid

InChIKey

NRCSJHVDTAAISV-QMMMGPOBSA-N

INCHI

1S/C9H9Cl2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1

Isomere SMILES

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

Molekulargewicht

234.1

Reaxy-Rn

2975857

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2975857&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Phenylalanine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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 L-alpha-amino acids Amphetamines and derivatives Dichlorobenzenes Aralkylamines Aryl chlorides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organochlorides 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 - L-alpha-amino acid - 1,2-dichlorobenzene - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Primary aliphatic amine - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Heat sensitive
• Molekulargewicht: 234.080 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 233.001 Da
• Monoisotopic Mass: 233.001 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 213.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 52794-99-7, the molecular formula is C9H9Cl2NO2, and the molecular weight is 234.1 g/mol. InChIKey NRCSJHVDTAAISV-QMMMGPOBSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.