(2R)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;hydrochloride - ≥97% , CAS No.75433-76-0

CAS: 75433-76-0 Cat. No.: T634487 Número EC: 676-079-6

GRADE & PURITY ≥97%

Synonyms

D-1,2,3,4-TETRAHYDRO-QUINOLINE-2-CARBOXYLIC ACID HCL | D-1,2,3,4-Tetrahydro-quinoline-2-carboxylic acid hydrochloride | (r)-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid hydrochloride | (r)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid hydrochloride | (2

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

D-1, 2, 3, 4-TETRAHYDRO-QUINOLINE-2-CARBOXYLIC ACID HCL | D-1, 2, 3, 4-Tetrahydro-quinoline-2-carboxylic acid hydrochloride | (r)-1, 2, 3, 4-tetrahydro-quinoline-2-carboxylic acid hydrochloride | (r)-1, 2, 3, 4-tetrahydroquinoline-2-carboxylic acid hydrochloride | (2

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1CC2=CC=CC=C2NC1C(=O)O.Cl
• IUPAC Name: (2R)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;hydrochloride
• InChIKey: QCFTXGXKUNDYFE-SBSPUUFOSA-N
• INCHI: 1S/C10H11NO2.ClH/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;/h1-4,9,11H,5-6H2,(H,12,13);1H/t9-;/m1./s1
• Isómeros SMILES: C1CC2=CC=CC=C2N[C@H]1C(=O)O.Cl
• CAS alternativo: 75433-76-0
• Reaxy-Rn: 6541848
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6541848&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Quinoline carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Quinoline carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoline carboxylic acids
• Alternative Parents: Hydroquinolines D-alpha-amino acids Secondary alkylarylamines Aralkylamines Benzenoids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-2-carboxylic acid - Alpha-amino acid - Alpha-amino acid or derivatives - Tetrahydroquinoline - D-alpha-amino acid - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Secondary amine - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrochloride - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions.
• 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

Propiedades químicas y físicas

• Peso molecular: 213.660 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 213.056 Da
• Monoisotopic Mass: 213.056 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 205.000
• 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: 2

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