1-Ethylimidazole - ≥98%(GC) , CAS No.7098-07-9

CAS: 7098-07-9 Cat. No.: E139207 Peso molecular: 96.13 Beilstein Registry Number: 23,46 Número EC: 230-403-9

GRADE & PURITY ≥98%(GC)

Synonyms

2-Amino-4-benzoylaniline | PD163435 | N-Ethylimidazole | EC 230-403-9 | Iobenguane (123-i) | D70860 | W-104539 | PS-9345 | 1-Ethyl-1H-imidazole # | 1-Ethylimidazole, >98% | SMR000058867 | InChI=1/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H | STL583912 | Z2867890

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-Amino-4-benzoylaniline | PD163435 | N-Ethylimidazole | EC 230-403-9 | Iobenguane (123-i) | D70860 | W-104539 | PS-9345 | 1-Ethyl-1H-imidazole # | 1-Ethylimidazole, >98% | SMR000058867 | InChI=1/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H, 2H2, 1H | STL583912 | Z2867890

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488185980
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185980
• Sonrisas canónicas: CCN1C=CN=C1
• IUPAC Name: 1-ethylimidazole
• InChIKey: IWDFHWZHHOSSGR-UHFFFAOYSA-N
• INCHI: 1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3
• Isómeros SMILES: CCN1C=CN=C1
• WGK Alemania: 2
• Peso molecular: 96.13
• Beilstein: 23,46
• Reaxy-Rn: 106908
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106908&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 N-substituted imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: N-substituted imidazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-substituted imidazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1.
• 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

Objetivos asociados (humanos)

EPHX1 Tchem Epoxide hydrolase 1 (644 Activities)

Discover Target: EPHX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Staphylococcus aureus (210822 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water
• Sensibilidad: Light sensitive
• Índice de refracción: 1.4870 to 1.4900
• Punto de inflamación (°C): 79 °C
• Punto de ebullición (°C): 226°C
• Peso molecular: 96.130 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 96.0687 Da
• Monoisotopic Mass: 96.0687 Da
• Topological Polar Surface Area: 17.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 54.000
• 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

Referencias

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