2-methoxy-6-(tributylstannyl)pyrazine

• ChemBase ID: 64191
• Molecular Formular: C17H32N2OSn
• Molecular Mass: 399.14978
• Monoisotopic Mass: 400.15365765
• SMILES: n1c([Sn](CCCC)(CCCC)CCCC)cncc1OC
• Canonical SMILES: CCCC[Sn](c1cncc(n1)OC)(CCCC)CCCC
• InChI: InChI=1S/C5H5N2O.3C4H9.Sn/c1-8-5-4-6-2-3-7-5;3*1-3-4-2;/h2,4H,1H3;3*1,3-4H2,2H3
• InChIKey: WWRXJELRWGUPKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-6-(tributylstannyl)pyrazine
• IUPAC Traditional name: 2-methoxy-6-(tributylstannyl)pyrazine
• Synonyms: 2-Methoxy-6-(tributylstannyl)pyrazine

Database IDs

• CAS Number: 1105511-66-7
• MDL Number: MFCD08275735
• PubChem SID: 162029930
• PubChem CID: 16427103

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.6515932
• LogD (pH = 7.4): 3.6516
• Log P: 3.6516
• Molar Refractivity: 86.6664 cm^3
• Polarizability: 38.52673 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Toxic
• TSCA Listed: false

Product Information

• Purity: 95%