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

CAS: 96163-72-3 Cat. No.: S161203 분자식: C₇H₁₃NO₂ 분자량: 143.19 EC 번호: 811-157-7 PubChem CID: 11499235

등급 & 순도 ≥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

사양

동의어

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

사양 및 순도

≥98%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥98%

이름과 식별자

Pubchem Sid

504766489

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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

PubChem CID

11499235

분자량

143.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 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
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 끓는점(°C): 74°C/9mmHg(lit.)
• 분자량: 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