1-Allylimidazole - ≥97%(GC) , CAS No.31410-01-2

CAS: 31410-01-2 Cat. No.: A151399 Fórmula: C₆H₈N₂ Peso molecular: 108.14 Beilstein Registry Number: 23(5)4,266 Número CE: 250-618-1

GRAU & PUREZA ≥97%(GC)

Synonyms

1-prop-2-enylimidazole | 1-Allyl-1H-imidazole # | BBL027934 | W-106905 | Z104477560 | EINECS 250-618-1 | N-Allylimidazole | InChI=1/C6H8N2/c1-2-4-8-5-3-7-6-8/h2-3,5-6H,1,4H | UNII-M6Y3FS79AQ | 1-allyl imidazole | DTXSID30185339 | 6-Methyl-3,4-dihydro-1,2,

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

1-prop-2-enylimidazole | 1-Allyl-1H-imidazole # | BBL027934 | W-106905 | Z104477560 | EINECS 250-618-1 | N-Allylimidazole | InChI=1/C6H8N2/c1-2-4-8-5-3-7-6-8/h2-3,5-6H,1,4H | UNII-M6Y3FS79AQ | 1-allyl imidazole | DTXSID30185339 | 6-Methyl-3,4-dihydro-1,2,

Especificações e pureza

≥97%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%(GC)

Nomes e identificadores

Pubchem Sid

488183261

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183261

Sorrisos canónicos

C=CCN1C=CN=C1

IUPAC Name

1-prop-2-enylimidazole

InChIKey

XLXCHZCQTCBUOX-UHFFFAOYSA-N

INCHI

1S/C6H8N2/c1-2-4-8-5-3-7-6-8/h2-3,5-6H,1,4H2

SMILES isoméricas

C=CCN1C=CN=C1

Peso molecular

108.14

Beilstein

23(5)4,266

Reaxy-Rn

605953

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605953&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: It is soluble in water.
• Índice de refração: 1.505
• Ponto de inflamação (°F): 213°F
• Ponto de inflamação (°C): 101°C
• Ponto de ebulição (°C): 212-213℃
• Peso molecular: 108.140 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 108.069 Da
• Monoisotopic Mass: 108.069 Da
• Topological Polar Surface Area: 17.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 80.600
• 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