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

CAS: 96163-72-3 Cat. No.: S161203 分子式: C₇H₁₃NO₂ 分子量: 143.19 EC番号: 811-157-7 PubChem CID: 11499235

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥98%

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

504766489

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

PubChem CID

11499235

分子量

143.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 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
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 沸点（°C）: 74°C/9mmHg(lit.)
• 分子量: 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