Ethyl 4-azidobutanoate , CAS No.51453-79-3

CAS: 51453-79-3 Cat. No.: E1337550 분자식: C₆H₁₁N₃O₂ 분자량: 157.17 EC 번호: 176-768-7 PubChem CID: 12382175

Storage

Room temperature

Shipped In

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Specifications

보관 조건

Room temperature

배송

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이름과 식별자

• 정식 스마일: CCOC(=O)CCCN=[N+]=[N-]
• IUPAC Name: ethyl 4-azidobutanoate
• InChIKey: ZPQNOPCJUCMNTL-UHFFFAOYSA-N
• INCHI: 1S/C6H11N3O2/c1-2-11-6(10)4-3-5-8-9-7/h2-5H2,1H3
• 이성체 SMILES: CCOC(=O)CCCN=[N+]=[N-]
• PubChem CID: 12382175
• 분자량: 157.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Carboxylic acid esters Azo imides Azo compounds Monocarboxylic acids and derivatives Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Azo compound - Azo imide - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic cation - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

• 분자량: 157.170 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 157.085 Da
• Monoisotopic Mass: 157.085 Da
• Topological Polar Surface Area: 40.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 163.000
• 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: 1