Pyrrolidine-3-carboxylic acid hydrochloride - ≥95% , CAS No.953079-94-2

CAS: 953079-94-2 Cat. No.: P196048 Peso molecular: 151.59 Número EC: 686-902-0 PubChem CID: 44890816

GRADE & PURITY ≥95%

Synonyms

SB10227 | beta-Proline hydrochloride | OYCLYMMIZJWYJG-UHFFFAOYSA-N | pyrrolidine-3-carboxylicacidhydrochloride | J-524164 | Pyrrolidine-3-carboxylic acid--hydrogen chloride (1/1) | 3-Pyrrolidinecarboxylic acid, hydrochloride (1:1) | AKOS008901222 | 4-amin

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

SB10227 | beta-Proline hydrochloride | OYCLYMMIZJWYJG-UHFFFAOYSA-N | pyrrolidine-3-carboxylicacidhydrochloride | J-524164 | Pyrrolidine-3-carboxylic acid--hydrogen chloride (1/1) | 3-Pyrrolidinecarboxylic acid, hydrochloride (1:1) | AKOS008901222 | 4-amin

Especificaciones y pureza

≥95%

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

≥95%

Nombres e identificadores

• Pubchem Sid: 504770497
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770497
• Sonrisas canónicas: C1CNCC1C(=O)O.Cl
• IUPAC Name: pyrrolidine-3-carboxylic acid;hydrochloride
• InChIKey: OYCLYMMIZJWYJG-UHFFFAOYSA-N
• INCHI: 1S/C5H9NO2.ClH/c7-5(8)4-1-2-6-3-4;/h4,6H,1-3H2,(H,7,8);1H
• Isómeros SMILES: C1CNCC1C(=O)O.Cl
• WGK Alemania: 2
• PubChem CID: 44890816
• Peso molecular: 151.59

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolidines
      • Subclass Pyrrolidine carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolidines
• Subclass: Pyrrolidine carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine carboxylic acids
• Alternative Parents: Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine carboxylic acid - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Azacycle - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Hydrochloride - Amine - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• 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

• Punto de inflamación (°F): >230 °F
• Punto de inflamación (°C): >110 °C
• Punto de fusión (°C): 30-38℃
• Peso molecular: 151.590 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 151.04 Da
• Monoisotopic Mass: 151.04 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 103.000
• 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: 2

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