(R)-Ethyl thiazolidine-4-carboxylate hydrochloride - ≥98% , CAS No.86028-91-3

CAS: 86028-91-3 Cat. No.: R195373 Molecular Weight: 197.68 PubChem CID: 45357993

GRADE & PURITY ≥98%

Synonyms

AC-3494 | Ethyl L-thiazolidine-4-carboxylate hydrochloride | AS-15141 | Ethyl (4R)-1,3-thiazolidine-4-carboxylate--hydrogen chloride (1/1) | (R)-Ethyl thiazolidine-4-carboxylate hydrochloride | AKOS015963343 | (R)-Ethylthiazolidine-4-carboxylatehydrochlor

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

AC-3494 | Ethyl L-thiazolidine-4-carboxylate hydrochloride | AS-15141 | Ethyl (4R)-1, 3-thiazolidine-4-carboxylate--hydrogen chloride (1/1) | (R)-Ethyl thiazolidine-4-carboxylate hydrochloride | AKOS015963343 | (R)-Ethylthiazolidine-4-carboxylatehydrochlor

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488201168
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201168
• Canonical Smiles: CCOC(=O)C1CSCN1.Cl
• IUPAC Name: ethyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride
• InChIKey: SQRLNYSSTHJCIU-JEDNCBNOSA-N
• INCHI: 1S/C6H11NO2S.ClH/c1-2-9-6(8)5-3-10-4-7-5;/h5,7H,2-4H2,1H3;1H/t5-;/m0./s1
• Isomeric SMILES: CCOC(=O)[C@@H]1CSCN1.Cl
• PubChem CID: 45357993
• Molecular Weight: 197.68

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 acid esters

• 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 acid esters
• Alternative Parents: Thiazolidines Carboxylic acid esters Thiohemiaminal derivatives Secondary amines Monocarboxylic acids and derivatives Dialkylthioethers Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - Thiazolidine - Carboxylic acid ester - Monocarboxylic acid or derivatives - Secondary amine - Thioether - Hemithioaminal - Dialkylthioether - Organoheterocyclic compound - Azacycle - Organic oxide - Organic nitrogen compound - Organooxygen compound - Amine - Carbonyl group - Organic oxygen compound - Hydrochloride - Organonitrogen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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: 197.680 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 197.028 Da
• Monoisotopic Mass: 197.028 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 129.000
• 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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