D-Proline Ethyl Ester - ≥98% , CAS No.96163-72-3

CAS: 96163-72-3 Cat. No.: S161203 Fórmula: C₇H₁₃NO₂ Peso molecular: 143.19 Número EC: 811-157-7 PubChem CID: 11499235

CALIDAD & PUREZA ≥98%

Synonyms

EN300-138280 | D-Proline, ethyl ester | MFCD17271681 | (r)-2-ethyloxycarbonyl-pyrrolidine | ethyl (2R)-pyrrolidine-2-carboxylate | AKOS017336928 | D-Proline,ethyl ester(9ci) | QPNJHVDIRZNKOX-ZCFIWIBFSA-N | (R)-Ethylpyrrolidine-2-carboxylate | d-proline et

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificaciones

Sinónimos

EN300-138280 | D-Proline, ethyl ester | MFCD17271681 | (r)-2-ethyloxycarbonyl-pyrrolidine | ethyl (2R)-pyrrolidine-2-carboxylate | AKOS017336928 | D-Proline,ethyl ester(9ci) | QPNJHVDIRZNKOX-ZCFIWIBFSA-N | (R)-Ethylpyrrolidine-2-carboxylate | d-proline et

Especificaciones y pureza

≥98%

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

≥98%

Nombres e identificadores

Pubchem Sid

504766489

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504766489

Sonrisas canónicas

CCOC(=O)C1CCCN1

IUPAC Name

ethyl (2R)-pyrrolidine-2-carboxylate

InChIKey

QPNJHVDIRZNKOX-ZCFIWIBFSA-N

INCHI

1S/C7H13NO2/c1-2-10-7(9)6-4-3-5-8-6/h6,8H,2-5H2,1H3/t6-/m1/s1

Isómeros SMILES

CCOC(=O)[C@H]1CCCN1

PubChem CID

11499235

Peso molecular

143.19

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 acid esters

• 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
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Proline and derivatives Pyrrolidine carboxylic acids Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - Proline or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Carboxylic acid ester - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Azacycle - Secondary amine - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxygen compound - Aliphatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Punto de ebullición (°C): 74°C/9mmHg(lit.)
• Peso molecular: 143.180 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 143.095 Da
• Monoisotopic Mass: 143.095 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 125.000
• 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: 1