Acetimidato di etile cloridrato - ≥97% , CAS No.2208-07-3

CAS: 2208-07-3 Cat. No.: E132730 Formula: CH₃C(=NH)OC₂H₅ · HCl Peso molecolare: 123.58 Beilstein Registry Number: 3552401 Numero EC: 218-631-7

GRADE & PURITY ≥97%

Synonyms

Ethanimidic acid, ethyl ester, hydrochloride | FT-0634128 | EN300-113204 | SCHEMBL387605 | AM90190 | 1-Ethoxyethylideneammonium chloride | Ethyl acetimidate hydrochloride | ethyl actimidate hydrochloride | ethyl ethanimidate hydrochloride | Ethanimidic ac

Storage

Conservare a 2-8°C, con carica di argon

Shipped In

Ghiaccio umido

Panoramica

L'acetimidato di etile cloridrato è un prodotto chimico di ricerca utile per la preparazione di tiouree nonracemiche contenenti ammine, (iminoetil)lisina e analoghi, amidinoarilpirrolidinilossifenilpropanoati. Viene inoltre utilizzato nelle reazioni di condensazione e per studiare l'attività antibatterica degli ossazolidinoni (azolilfenil)legati all'azoto e al carbonio contro Haemophilus influenzae e Moraxella catarrhalis.

Specifications

Sinonimi

Ethanimidic acid, ethyl ester, hydrochloride | FT-0634128 | EN300-113204 | SCHEMBL387605 | AM90190 | 1-Ethoxyethylideneammonium chloride | Ethyl acetimidate hydrochloride | ethyl actimidate hydrochloride | ethyl ethanimidate hydrochloride | Ethanimidic ac

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Conservare a 2-8°C, con carica di argon

Spedito in

Ghiaccio umido

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 508811794
• Sorrisi canonici: CCOC(=N)C.Cl
• IUPAC Name: ethyl ethanimidate;hydrochloride
• InChIKey: WGMHMVLZFAJNOT-UHFFFAOYSA-N
• INCHI: 1S/C4H9NO.ClH/c1-3-6-4(2)5;/h5H,3H2,1-2H3;1H
• Isomeri SMILES: CCOC(=N)C.Cl
• WGK Germania: 3
• CAS alternativo: 1000-84-6
• Peso molecolare: 123.58
• Beilstein: 3552401
• Reaxy-Rn: 3552401
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3552401&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: Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Imido ester - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Slightly soluble in DMSO
• Sensibilità: Moisture sensitive.
• Punto di fusione (°C): 112-114 °C
• Peso molecolare: 123.580 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 123.045 Da
• Monoisotopic Mass: 123.045 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 51.500
• 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: 2

XLogP3