2-methoxy-3-(tributylstannyl)pyridine

• ChemBase ID: 64177
• Molecular Formular: C18H33NOSn
• Molecular Mass: 398.16172
• Monoisotopic Mass: 399.15840868
• SMILES: c1(c([Sn](CCCC)(CCCC)CCCC)cccn1)OC
• Canonical SMILES: CCCC[Sn](c1cccnc1OC)(CCCC)CCCC
• InChI: InChI=1S/C6H6NO.3C4H9.Sn/c1-8-6-4-2-3-5-7-6;3*1-3-4-2;/h2-3,5H,1H3;3*1,3-4H2,2H3
• InChIKey: BSNRTYAWGFGXLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-3-(tributylstannyl)pyridine
• IUPAC Traditional name: 2-methoxy-3-(tributylstannyl)pyridine
• Synonyms: 2-Methoxy-3-(tributylstannyl)pyridine; 3-(Tri-n-butylstannyl)-2-methoxypyridine; 2-Methoxy-3-(tri-n-butylstannyl)pyridine; 2-甲氧基-3-(三正丁基锡)吡啶

Database IDs

• CAS Number: 223418-74-4
• MDL Number: MFCD01319029
• PubChem SID: 162029916
• PubChem CID: 16427097

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.2626004
• LogD (pH = 7.4): 4.264871
• Log P: 4.2649
• Molar Refractivity: 88.5098 cm^3
• Polarizability: 39.38076 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Toxic
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN2788
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 21-25-36/38-48/23/25-50/53
• Safety Statements: 36/37/39-45-60-61
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Hazard statements: H301-H312-H315-H319-H372-H400-H410
• GHS Precautionary statements: P280-P273-P309-P310-P501A

Product Information

• Purity: 95%