4-(tributylstannyl)quinoline

• ChemBase ID: 65248
• Molecular Formular: C21H33NSn
• Molecular Mass: 418.19442
• Monoisotopic Mass: 419.16349406
• SMILES: c1ccc2c(c1)nccc2[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1ccnc2c1cccc2)(CCCC)CCCC
• InChI: InChI=1S/C9H6N.3C4H9.Sn/c1-2-6-9-8(4-1)5-3-7-10-9;3*1-3-4-2;/h1-4,6-7H;3*1,3-4H2,2H3
• InChIKey: HKHSDOVXXQFZQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(tributylstannyl)quinoline
• IUPAC Traditional name: 4-(tributylstannyl)quinoline
• Synonyms: 4-(Tributylstannyl)quinoline

Database IDs

• CAS Number: 1272412-64-2
• MDL Number: MFCD18325178
• PubChem SID: 162030987
• PubChem CID: 56777105

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.1703134
• LogD (pH = 7.4): 5.21963
• Log P: 5.2203
• Molar Refractivity: 97.8113 cm^3
• Polarizability: 44.307262 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 94%