Pyrrolidin-1-yl-acetic acid hydrochloride - ≥97% , CAS No.6628-74-6

CAS: 6628-74-6 Cat. No.: P345179 Molecular Weight: 165.62 EC Number: 811-498-1 PubChem CID: 13022016

GRADE & PURITY ≥97%

Synonyms

Rinialer (TN) | Pyrrolidin-1-yl-acetic acid hydrochloride, AldrichCPR | 2-(Pyrrolidin-1-Yl)Acetic Acid Hydrochloride | F21166 | EN300-41375 | J-506590 | 2-(pyrrolidin-1-yl)acetic acid HCl | NSC108221 | NSC-108221 | pyrrolidin-1-ylacetic acid hydrochloride

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Rinialer (TN) | Pyrrolidin-1-yl-acetic acid hydrochloride, AldrichCPR | 2-(Pyrrolidin-1-Yl)Acetic Acid Hydrochloride | F21166 | EN300-41375 | J-506590 | 2-(pyrrolidin-1-yl)acetic acid HCl | NSC108221 | NSC-108221 | pyrrolidin-1-ylacetic acid hydrochloride

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488198334
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198334
• Canonical Smiles: C1CCN(C1)CC(=O)O.Cl
• IUPAC Name: 2-pyrrolidin-1-ylacetic acid;hydrochloride
• InChIKey: HIGULTVOVROJID-UHFFFAOYSA-N
• INCHI: 1S/C6H11NO2.ClH/c8-6(9)5-7-3-1-2-4-7;/h1-5H2,(H,8,9);1H
• Isomeric SMILES: C1CCN(C1)CC(=O)O.Cl
• PubChem CID: 13022016
• Molecular Weight: 165.62

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class 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
• Class: 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: N-alkylpyrrolidines Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid - N-alkylpyrrolidine - Pyrrolidine - Tertiary amine - Amino acid - Tertiary aliphatic amine - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Hydrochloride - Aliphatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.
• Molecular Weight: 165.620 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 165.056 Da
• Monoisotopic Mass: 165.056 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 108.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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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