DL-(3-Chlorophenyl)glycine - ≥98% , CAS No.7292-71-9

CAS: 7292-71-9 Cat. No.: D194784 Peso molecular: 185.61 Número EC: 676-155-9

GRADE & PURITY ≥98%

Synonyms

2-Amino-2-(3-chlorophenyl)acetic acid | α-Amino-3-chlorobenzeneacetic Acid | 3-Chlorophenylglycine | DL-α-Amino-3-chlorophenylacetic Acid | NSC 154922 | 2-(m-Chlorophenyl)-glycine | α-Amino-3-chloro-benzeneacetic Acid | Amino(3-​chlorophenyl)​acetic Acid

Storage

Room temperature

Shipped In

Normal

Descripción general

application：

Amino(3-​chlorophenyl)​acetic Acid functions as intermediate useful in the preparation of synthetic penicillins, also used in the structure-activity relationship examination of several drugs containing the benzyl moiety, their roles in biochemical and pharmacological processes.

Specifications

Sinónimos

2-Amino-2-(3-chlorophenyl)acetic acid | α-Amino-3-chlorobenzeneacetic Acid | 3-Chlorophenylglycine | DL-α-Amino-3-chlorophenylacetic Acid | NSC 154922 | 2-(m-Chlorophenyl)-glycine | α-Amino-3-chloro-benzeneacetic Acid | Amino(3-​chlorophenyl)​acetic Acid

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488189310
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189310
• Sonrisas canónicas: C1=CC(=CC(=C1)Cl)C(C(=O)O)N
• IUPAC Name: 2-amino-2-(3-chlorophenyl)acetic acid
• InChIKey: MGOUENCSVMAGSE-UHFFFAOYSA-N
• INCHI: 1S/C8H8ClNO2/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
• Isómeros SMILES: C1=CC(=CC(=C1)Cl)C(C(=O)O)N
• Peso molecular: 185.61
• Reaxy-Rn: 2938004
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2938004&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acids
• Alternative Parents: Chlorobenzenes 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: Alpha-amino acid - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Primary aliphatic amine - Organooxygen compound - Primary amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
• 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

Objetivos asociados (humanos)

CACNA2D1 Tclin Voltage-gated calcium channel alpha2/delta subunit 1 (266 Activities)

Discover Target: CACNA2D1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Aqueous Acid (Slightly), Methanol (Very Slightly, Heated)
• Punto de fusión (°C): 209-212°C
• Peso molecular: 185.610 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 185.024 Da
• Monoisotopic Mass: 185.024 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 174.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1