4-{[4-(tributylstannyl)phenyl]methyl}morpholine

• ChemBase ID: 89607
• Molecular Formular: C23H41NOSn
• Molecular Mass: 466.27874
• Monoisotopic Mass: 467.22100894
• SMILES: [Sn](c1ccc(cc1)CN1CCOCC1)(CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1ccc(cc1)CN1CCOCC1)(CCCC)CCCC
• InChI: InChI=1S/C11H14NO.3C4H9.Sn/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;3*1-3-4-2;/h2-5H,6-10H2;3*1,3-4H2,2H3
• InChIKey: PDCBOBKNKGLDOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[4-(tributylstannyl)phenyl]methyl}morpholine
• IUPAC Traditional name: 4-{[4-(tributylstannyl)phenyl]methyl}morpholine
• Synonyms: 1-[(Morpholin-4-yl)methyl]-4-(tributylstannyl)benzene, {4-[(Morpholin-4-yl)methyl]phenyl}tributylstannane; 4-[4-(Tributylstannyl)benzyl]morpholine

Database IDs

• PubChem SID: 162104713
• PubChem CID: 71300068

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.490365
• LogD (pH = 7.4): 4.672309
• Log P: 4.6752
• Molar Refractivity: 111.5072 cm^3
• Polarizability: 48.411636 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic