5-methyl-2-(tributylstannyl)pyridine

• ChemBase ID: 64182
• Molecular Formular: C18H33NSn
• Molecular Mass: 382.16232
• Monoisotopic Mass: 383.16349406
• SMILES: n1c([Sn](CCCC)(CCCC)CCCC)ccc(c1)C
• Canonical SMILES: CCCC[Sn](c1ccc(cn1)C)(CCCC)CCCC
• InChI: InChI=1S/C6H6N.3C4H9.Sn/c1-6-3-2-4-7-5-6;3*1-3-4-2;/h2-3,5H,1H3;3*1,3-4H2,2H3
• InChIKey: MVOHAZAWWAXIDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-2-(tributylstannyl)pyridine
• IUPAC Traditional name: 5-methyl-2-(tributylstannyl)pyridine
• Synonyms: (5-Methylpyridin-2-yl)tributylstannane; 5-Methyl-2-(tributylstannyl)pyridine; 2-(Tri-n-butylstannyl)-5-methylpyridine; 5-Methyl-2-(tri-n-butylstannyl)pyridine; 5-甲基-2-(三正丁基锡)吡啶

Database IDs

• CAS Number: 189195-41-3
• MDL Number: MFCD07787402
• PubChem SID: 162029921
• PubChem CID: 11132711

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.852662
• LogD (pH = 7.4): 4.9071913
• Log P: 4.9848
• Molar Refractivity: 87.0878 cm^3
• Polarizability: 38.595802 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 10
• 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: 94%; 96%