2-tert-butyl-1-methyl-4-(trimethylstannyl)-1H-imidazole

• ChemBase ID: 798407
• Molecular Formular: C11H22N2Sn
• Molecular Mass: 301.00678
• Monoisotopic Mass: 302.08049271
• SMILES: n1(c(nc(c1)[Sn](C)(C)C)C(C)(C)C)C
• Canonical SMILES: Cn1cc(nc1C(C)(C)C)[Sn](C)(C)C
• InChI: InChI=1S/C8H13N2.3CH3.Sn/c1-8(2,3)7-9-5-6-10(7)4;;;;/h6H,1-4H3;3*1H3
• InChIKey: FUBWXKSYGRSEBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-tert-butyl-1-methyl-4-(trimethylstannyl)-1H-imidazole
• IUPAC Traditional name: 2-tert-butyl-1-methyl-4-(trimethylstannyl)imidazole
• Synonyms: 2-tert-butyl-1-methyl-4-(trimethylstannyl)-1h-imidazole

Database IDs

• CAS Number: 936718-20-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.7642745
• LogD (pH = 7.4): 2.0814023
• Log P: 2.6207
• Molar Refractivity: 58.4297 cm^3
• Polarizability: 27.138973 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%