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2-(4-tert-Butyl-2,6-dimethyl-benzyl)-4,5-dihydro-1H-imidazole Structure

2-(4-tert-Butyl-2,6-dimethyl-benzyl)-4,5-dihydro-1H-imidazole

Chemical Properties

Melting point 131-133°
Boiling point 394.2±21.0 °C(Predicted)
Density  1.00±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO: 49 mg/mL (200.51 mM);Ethanol: 49 mg/mL (200.51 mM)
pka pKa 10.6±0.1(H2O t = 22.0) (Uncertain)
Water Solubility  Water: Insoluble
InChI InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)
InChIKey HUCJFAOMUPXHDK-UHFFFAOYSA-N
SMILES C1(CC2=C(C)C=C(C(C)(C)C)C=C2C)NCCN=1
CAS DataBase Reference 526-36-3

Safety Information

Toxicity LD50 oral in mouse: 215mg/kg

Usage And Synthesis

2-(4-tert-Butyl-2,6-dimethyl-benzyl)-4,5-dihydro-1H-imidazole Supplier