4-[5-(tributylstannyl)pyridin-2-yl]morpholine

• ChemBase ID: 64219
• Molecular Formular: C21H38N2OSn
• Molecular Mass: 453.24022
• Monoisotopic Mass: 454.20060785
• SMILES: c1(ncc([Sn](CCCC)(CCCC)CCCC)cc1)N1CCOCC1
• Canonical SMILES: CCCC[Sn](c1ccc(nc1)N1CCOCC1)(CCCC)CCCC
• InChI: InChI=1S/C9H11N2O.3C4H9.Sn/c1-2-4-10-9(3-1)11-5-7-12-8-6-11;3*1-3-4-2;/h1,3-4H,5-8H2;3*1,3-4H2,2H3
• InChIKey: NKRWOTZKCIKRPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[5-(tributylstannyl)pyridin-2-yl]morpholine
• IUPAC Traditional name: 4-[5-(tributylstannyl)pyridin-2-yl]morpholine
• Synonyms: 2-Morpholin-4-yl-5-(tributylstannyl)pyridine; 2-Morpholino-5-(tributylstannyl)pyridine

Database IDs

• CAS Number: 223556-07-8
• MDL Number: MFCD09025804
• PubChem SID: 162029958
• PubChem CID: 16427116

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2794878
• LogD (pH = 7.4): 4.3554573
• Log P: 4.4394
• Molar Refractivity: 105.5497 cm^3
• Polarizability: 45.329185 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 94%