Ethyl 3-azidopropanoate , CAS No.40139-55-7

CAS: 40139-55-7 Cat. No.: E1257565 Formule: C₅H₉N₃O₂ Poids moléculaire: 143.14

Storage

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Specifications

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Expédié en

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Noms et identifiants

• Sourires canoniques: CCOC(=O)CCN=[N+]=[N-]
• IUPAC Name: ethyl 3-azidopropanoate
• InChIKey: CNLPCLPOFWYNPU-UHFFFAOYSA-N
• INCHI: 1S/C5H9N3O2/c1-2-10-5(9)3-4-7-8-6/h2-4H2,1H3
• Poids moléculaire: 143.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Classe Allyl-type 1,3-dipolar organic compounds
      • Subclass Azo imides

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Classe: Allyl-type 1,3-dipolar organic compounds
• Subclass: Azo imides
• Intermediate Tree Nodes: Not available
• Direct Parent: Azo imides
• Alternative Parents: Carboxylic acid esters Azo compounds Monocarboxylic acids and derivatives Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Azo imide - Azo compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as azo imides. These are n-Imides of azo compounds, analogous to azoxy compounds, having a delocalized structure.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 143.140 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 143.069 Da
• Monoisotopic Mass: 143.069 Da
• Topological Polar Surface Area: 40.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 151.000
• 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