2-Ethyl-4-methylimidazole - ≥96% , CAS No.931-36-2

CAS: 931-36-2 Cat. No.: E104846 Peso molecular: 110.16 Beilstein Registry Number: 1711 Número EC: 213-234-5

GRADE & PURITY ≥96%

Synonyms

DTXCID7024744 | Imidazole, 2-ethyl-4-methyl- | US9138393, 2-Ethyl-4- methyl- imidazole | 1H-Imidazole,5-methyl-2-(phenylmethyl)- | Risdiplam [USAN] | TS-01543 | BDBM181122 | 2-ethyl-5-methyl-1H-imidazole | SCHEMBL17688 | TAK981 | Q27262481 | EN300-352283

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

2-Ethyl-4-methylimidazole can be used as a:
cross-linker for epoxy resins to synthesize network polymers with improved thermal resistance and physical properties.
curing agent for polysiloxane episulfide resin (PSER).
catalyst to promote curing of blends of hyperbranched aromatic epoxy polymer and bisphenol F diglycidyl ether.

Specifications

Sinónimos

DTXCID7024744 | Imidazole, 2-ethyl-4-methyl- | US9138393, 2-Ethyl-4- methyl- imidazole | 1H-Imidazole, 5-methyl-2-(phenylmethyl)- | Risdiplam [USAN] | TS-01543 | BDBM181122 | 2-ethyl-5-methyl-1H-imidazole | SCHEMBL17688 | TAK981 | Q27262481 | EN300-352283

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 488184506
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184506
• Sonrisas canónicas: CCC1=NC=C(N1)C
• IUPAC Name: 2-ethyl-5-methyl-1H-imidazole
• InChIKey: ULKLGIFJWFIQFF-UHFFFAOYSA-N
• INCHI: 1S/C6H10N2/c1-3-6-7-4-5(2)8-6/h4H,3H2,1-2H3,(H,7,8)
• Isómeros SMILES: CCC1=NC=C(N1)C
• WGK Alemania: 2
• Peso molecular: 110.16
• Beilstein: 1711
• Reaxy-Rn: 4797846
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4797846&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Imidazole - 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 imidazoles. These are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms.
• 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)

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

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

fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)

Discover Target: fba

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 (< 210 g/1000 ml at 20°C).
• Sensibilidad: Moisture sensitive.Air Sensitive
• Índice de refracción: 1.5
• Punto de inflamación (°F): 278°F
• Punto de inflamación (°C): 137℃
• Punto de ebullición (°C): 292-295°C
• Punto de fusión (°C): 45°C
• Peso molecular: 110.160 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 110.084 Da
• Monoisotopic Mass: 110.084 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 72.900
• 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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