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

CAS: 953079-94-2 Cat. No.: P196048 Molecular Weight: 151.59 EC Number: 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

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

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504770497
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770497
• Canonical Smiles: 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
• Isomeric SMILES: C1CNCC1C(=O)O.Cl
• WGK Germany: 2
• PubChem CID: 44890816
• Molecular Weight: 151.59

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Flash Point(°F): >230 °F
• Flash Point(°C): >110 °C
• Melt Point(°C): 30-38℃
• Molecular Weight: 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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