Ethyl azidoacetate solution - ~25% in ethanol (NMR) , CAS No.637-81-0

CAS: 637-81-0 Cat. No.: E433183 Formule: C₄H₇N₃O₂ Poids moléculaire: 129.12 Numéro CE: 211-301-3

GRADE & PURITY ~25% in ethanol (NMR)

Synonyms

Ethyl 2-azidoacetate | (2-ethoxy-2-oxo-ethyl)imino-imino-ammonium | BRN 4247209 | ethyl alpha-azidoacetate | HVJJYOAPXBPQQV-UHFFFAOYSA-N | SCHEMBL13431922 | NSC84132 | EINECS 211-301-3 | DTXSID30213101 | NCIOpen2_000977 | A834524 | E1255 | Ethyl azidoacet

Storage

Room temperature

Specifications

Synonymes

Ethyl 2-azidoacetate | (2-ethoxy-2-oxo-ethyl)imino-imino-ammonium | BRN 4247209 | ethyl alpha-azidoacetate | HVJJYOAPXBPQQV-UHFFFAOYSA-N | SCHEMBL13431922 | NSC84132 | EINECS 211-301-3 | DTXSID30213101 | NCIOpen2_000977 | A834524 | E1255 | Ethyl azidoacet

Spécifications et pureté

~25% in ethanol (NMR)

Conditions de stockage de stockage

Room temperature

Noms et identifiants

• Sourires canoniques: CCOC(=O)CN=[N+]=[N-]
• IUPAC Name: ethyl 2-azidoacetate
• InChIKey: HVJJYOAPXBPQQV-UHFFFAOYSA-N
• INCHI: 1S/C4H7N3O2/c1-2-9-4(8)3-6-7-5/h2-3H2,1H3
• Isomères SMILES: CCOC(=O)CN=[N+]=[N-]
• Poids moléculaire: 129.12
• Reaxy-Rn: 1099789
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1099789&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe 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
• Classe: 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: Carboxylic acid esters Azo imides Azo compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid ester - Carboxylic acid ester - Azo imide - Azo compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.43
• Point d'éclair (°F): 44.6℉
• Point d'éclair (°C): 7℃
• Point d'ébullition (°C): 164℃
• Poids moléculaire: 129.120 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 129.054 Da
• Monoisotopic Mass: 129.054 Da
• Topological Polar Surface Area: 40.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 139.000
• 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

Références

1. Shuiquan Li, Mengyao Wang, Huihui Liu, Jin Jiang, Wenli Zhao, Yan Wang, Ping Song, Zhi Wang.  (2023)  Polyphenylene sulfide fabric with improved antibacterial properties and comprehensive performances by new polybenzoxazine based coating for protection applications.  POLYMER,      [PMID:] [10.1016/j.polymer.2023.125777]

Foire aux questions

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 637-81-0, the molecular formula is C4H7N3O2, and the molecular weight is 129.12 g/mol. InChIKey HVJJYOAPXBPQQV-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.