Ethyl 2-ethoxy-2-iminoacetate - ≥95% , CAS No.816-27-3

CAS: 816-27-3 Cat. No.: E195169 Formule: C₆H₁₁NO₃ Poids moléculaire: 145.16 Numéro CE: 806-176-2

GRADE & PURITY ≥95%

Synonyms

SB38861 | SY047515 | ETHOXY-IMINO-ACETIC ACID ETHYL ESTER | (E)-ethyl 2-(ethoxyimino)acetate | AKOS005257690 | Ethyl 2-ethoxy-2-iminoacetate | STL554930 | DTXSID70448293 | DS-2629 | MFCD06797654 | BBL101134 | Ethyl ethoxyiminoacetate | FT-0727474 | ethyl

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

SB38861 | SY047515 | ETHOXY-IMINO-ACETIC ACID ETHYL ESTER | (E)-ethyl 2-(ethoxyimino)acetate | AKOS005257690 | Ethyl 2-ethoxy-2-iminoacetate | STL554930 | DTXSID70448293 | DS-2629 | MFCD06797654 | BBL101134 | Ethyl ethoxyiminoacetate | FT-0727474 | ethyl

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

Pubchem Sid

504765728

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765728

Sourires canoniques

CCOC(=N)C(=O)OCC

IUPAC Name

ethyl 2-ethoxy-2-iminoacetate

InChIKey

DSHWMBCJDOGPTB-UHFFFAOYSA-N

INCHI

1S/C6H11NO3/c1-3-9-5(7)6(8)10-4-2/h7H,3-4H2,1-2H3

Isomères SMILES

CCOC(=N)C(=O)OCC

Poids moléculaire

145.16

Reaxy-Rn

1761389

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1761389&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboximidic acids and derivatives
      • Subclass Imidoesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboximidic acids and derivatives
• Subclass: Imidoesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidoesters
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Imido ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen 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 imidoesters. These are organic ester derivatives of imidic acid. They have the general structure ROC(CR')=NR\", where R=organyl group, R'-R\"= H or organyl group.
• 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: 145.160 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 145.074 Da
• Monoisotopic Mass: 145.074 Da
• Topological Polar Surface Area: 59.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 133.000
• 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