4-(tributylstannyl)pyrimidine

• ChemBase ID: 814387
• Molecular Formular: C16H30N2Sn
• Molecular Mass: 369.1238
• Monoisotopic Mass: 370.14309297
• SMILES: c1c(ncnc1)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1ccncn1)(CCCC)CCCC
• InChI: InChI=1S/C4H3N2.3C4H9.Sn/c1-2-5-4-6-3-1;3*1-3-4-2;/h1-2,4H;3*1,3-4H2,2H3
• InChIKey: HQMLIWXIPSYXMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(tributylstannyl)pyrimidine
• IUPAC Traditional name: 4-(tributylstannyl)pyrimidine
• Synonyms: 4-(tributylstannyl)pyrimidine

Database IDs

• CAS Number: 332133-92-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.695936
• LogD (pH = 7.4): 3.6962955
• Log P: 3.6963
• Molar Refractivity: 80.8678 cm^3
• Polarizability: 35.977787 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%