(2R)-2-allylpyrrolidine-2-carboxylic acid;hydrochloride - ≥97% , CAS No.177206-69-8

CAS: 177206-69-8 Cat. No.: A630310 PubChem CID: 2761956

GRADE & PURITY ≥97%

Synonyms

177206-69-8 | (R)-alpha-Allyl-proline hydrochloride | (2R)-2-prop-2-enylpyrrolidine-2-carboxylic acid | hydrochloride | L-Proline, 2-(2-propenyl)-, hydrochloride (9CI) | (2R)-2-allyl-2-pyrrolidinecarboxylic acid hydrochloride | (R)-Alpha-allyl-proline, HC

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

177206-69-8 | (R)-alpha-Allyl-proline hydrochloride | (2R)-2-prop-2-enylpyrrolidine-2-carboxylic acid | hydrochloride | L-Proline, 2-(2-propenyl)-, hydrochloride (9CI) | (2R)-2-allyl-2-pyrrolidinecarboxylic acid hydrochloride | (R)-Alpha-allyl-proline, HC

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: C=CCC1(CCCN1)C(=O)O.Cl
• IUPAC Name: (2R)-2-prop-2-enylpyrrolidine-2-carboxylic acid;hydrochloride
• InChIKey: DIYYEOOBZVTROL-QRPNPIFTSA-N
• INCHI: 1S/C8H13NO2.ClH/c1-2-4-8(7(10)11)5-3-6-9-8;/h2,9H,1,3-6H2,(H,10,11);1H/t8-;/m0./s1
• Isómeros SMILES: C=CC[C@]1(CCCN1)C(=O)O.Cl
• PubChem CID: 2761956

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
              • Level8 L-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 - Alpha amino acids
• Direct Parent: L-alpha-amino acids
• Alternative Parents: D-alpha-amino acids Pyrrolidine carboxylic acids Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: D-alpha-amino acid - L-alpha-amino acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Amino acid - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrochloride - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
• 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: 191.650 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 191.071 Da
• Monoisotopic Mass: 191.071 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 179.000
• 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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