4-[6-(tributylstannyl)pyridin-2-yl]morpholine

• ChemBase ID: 90197
• Molecular Formular: C21H38N2OSn
• Molecular Mass: 453.24022
• Monoisotopic Mass: 454.20060785
• SMILES: n1c(cccc1N1CCOCC1)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1cccc(n1)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;/h1-3H,5-8H2;3*1,3-4H2,2H3
• InChIKey: LDERBIPTTICDSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[6-(tributylstannyl)pyridin-2-yl]morpholine
• IUPAC Traditional name: 4-[6-(tributylstannyl)pyridin-2-yl]morpholine
• Synonyms: 4-[6-(tributylstannyl)-2-pyridinyl]morpholine; 4-[6-(Tributylstannyl)pyridin-2-yl]morpholine

Database IDs

• CAS Number: 869901-24-6
• MDL Number: MFCD08271894
• PubChem SID: 162077035
• PubChem CID: 18525739

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2565544
• LogD (pH = 7.4): 4.7994237
• Log P: 5.138
• Molar Refractivity: 105.8632 cm^3
• Polarizability: 45.329494 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Toxic/Irritant

Product Information

• Purity: 95%