1,2-dimethyl-5-(tributylstannyl)-1H-imidazole

• ChemBase ID: 64492
• Molecular Formular: C17H34N2Sn
• Molecular Mass: 385.16626
• Monoisotopic Mass: 386.1743931
• SMILES: c1(n(c(nc1)C)C)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1cnc(n1C)C)(CCCC)CCCC
• InChI: InChI=1S/C5H7N2.3C4H9.Sn/c1-5-6-3-4-7(5)2;3*1-3-4-2;/h3H,1-2H3;3*1,3-4H2,2H3
• InChIKey: CWAPIHCLJCNFTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dimethyl-5-(tributylstannyl)-1H-imidazole
• IUPAC Traditional name: 1,2-dimethyl-5-(tributylstannyl)imidazole
• Synonyms: 1,2-Dimethyl-5-(tributylstannyl)imidazole

Database IDs

• CAS Number: 86051-75-4
• MDL Number: MFCD11109395
• PubChem SID: 162030231
• PubChem CID: 12847211

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0602603
• LogD (pH = 7.4): 2.8270671
• Log P: 3.3088
• Molar Refractivity: 85.4355 cm^3
• Polarizability: 38.099655 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 90%