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

CAS: 7098-07-9 Cat. No.: E139207 Formula: C₅H₈N₂ Molecular Weight: 96.13 Beilstein Registry Number: 23,46 EC Number: 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

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

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

Pubchem Sid

488185980

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185980

Canonical Smiles

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

Isomeric SMILES

CCN1C=CN=C1

WGK Germany

2

Molecular Weight

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
    • Class Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 N-substituted imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water
• Sensitivity: Light sensitive
• x_refractive_index: 1.4870 to 1.4900
• x_flash_point_drop_centigrade: 79 °C
• x_boil_point_char: 226°C
• Molecular Weight: 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

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 7098-07-9, the molecular formula is C5H8N2, and the molecular weight is 96.13 g/mol. InChIKey IWDFHWZHHOSSGR-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.