4-Ethyl-2-methyl-1H-imidazole - ≥95% , CAS No.29239-89-2

CAS: 29239-89-2 Cat. No.: E725672 분자식: C₆H₁₀N₂ 분자량: 110.16 PubChem CID: 11194304

GRADE & PURITY ≥95%

Synonyms

2-Methyl-4-ethylimidazole | 5-Ethyl-2-methyl-1H-imidazole

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

동의어

2-Methyl-4-ethylimidazole | 5-Ethyl-2-methyl-1H-imidazole

사양 및 순도

≥95%

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

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순수함

≥95%

이름과 식별자

• Pubchem Sid: 528759942
• 정식 스마일: CCC1=CN=C(N1)C
• IUPAC Name: 5-ethyl-2-methyl-1H-imidazole
• InChIKey: RIAHASMJDOMQER-UHFFFAOYSA-N
• INCHI: 1S/C6H10N2/c1-3-6-4-7-5(2)8-6/h4H,3H2,1-2H3,(H,7,8)
• 이성체 SMILES: CCC1=CN=C(N1)C
• 대체 CAS: 29239-89-2
• PubChem CID: 11194304
• 분자량: 110.16

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Imidazole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• 설명: 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

화학 및 물리적 특성

• 분자량: 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