Cas no 689252-11-7 (4-methyl-1-[(4-nitrophenyl)methyl]-1H-Imidazole)

4-methyl-1-[(4-nitrophenyl)methyl]-1H-Imidazole structure
689252-11-7 structure
Product Name:4-methyl-1-[(4-nitrophenyl)methyl]-1H-Imidazole
CAS No:689252-11-7
MF:C11H11N3O2
MW:217.223942041397
CID:1116095
Update Time:2024-03-06

4-methyl-1-[(4-nitrophenyl)methyl]-1H-Imidazole Chemical and Physical Properties

Names and Identifiers

    • 4-methyl-1-[(4-nitrophenyl)methyl]-1H-Imidazole
    • 1H-Imidazole, 4-methyl-1-[(4-nitrophenyl)methyl]-
    • Inchi: 1S/C11H11N3O2/c1-9-6-13(8-12-9)7-10-2-4-11(5-3-10)14(15)16/h2-6,8H,7H2,1H3
    • InChI Key: UTRHUVLXMCVSNS-UHFFFAOYSA-N
    • SMILES: C1N(CC2=CC=C([N+]([O-])=O)C=C2)C=C(C)N=1

Computed Properties

  • Exact Mass: 217.08523

Experimental Properties

  • Density: 1.25±0.1 g/cm3(Predicted)
  • Boiling Point: 428.6±25.0 °C(Predicted)
  • PSA: 60.96
  • pka: 7.00±0.61(Predicted)
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