tert-butyl 4-(tributylstannyl)-1,2,3,6-tetrahydropyridine-1-carboxylate

• ChemBase ID: 65208
• Molecular Formular: C22H43NO2Sn
• Molecular Mass: 472.28332
• Monoisotopic Mass: 473.23157362
• SMILES: C1N(CC=C(C1)[Sn](CCCC)(CCCC)CCCC)C(=O)OC(C)(C)C
• Canonical SMILES: CCCC[Sn](C1=CCN(CC1)C(=O)OC(C)(C)C)(CCCC)CCCC
• InChI: InChI=1S/C10H16NO2.3C4H9.Sn/c1-10(2,3)13-9(12)11-7-5-4-6-8-11;3*1-3-4-2;/h5H,6-8H2,1-3H3;3*1,3-4H2,2H3
• InChIKey: DFXDFQGKKJGPND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-(tributylstannyl)-1,2,3,6-tetrahydropyridine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-(tributylstannyl)-3,6-dihydro-2H-pyridine-1-carboxylate
• Synonyms: 3,6-Dihydro-4-(tributylstannyl)-1(2H)-pyridinecarboxylic acid t-butyl ester

Database IDs

• CAS Number: 208465-07-0
• MDL Number: MFCD18325165
• PubChem SID: 162030947
• PubChem CID: 12094207

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.7198
• LogD (pH = 7.4): 6.7198
• Log P: 6.7198
• Molar Refractivity: 110.6469 cm^3
• Polarizability: 47.51426 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 94%