1-(methoxymethyl)-5-(tributylstannyl)-1H-1,2,3-triazole

• ChemBase ID: 801500
• Molecular Formular: C16H33N3OSn
• Molecular Mass: 402.15372
• Monoisotopic Mass: 403.16455669
• SMILES: n1(nncc1[Sn](CCCC)(CCCC)CCCC)COC
• Canonical SMILES: CCCC[Sn](c1cnnn1COC)(CCCC)CCCC
• InChI: InChI=1S/C4H6N3O.3C4H9.Sn/c1-8-4-7-3-2-5-6-7;3*1-3-4-2;/h2H,4H2,1H3;3*1,3-4H2,2H3
• InChIKey: NYAZVLGIRTVRSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(methoxymethyl)-5-(tributylstannyl)-1H-1,2,3-triazole
• IUPAC Traditional name: 1-(methoxymethyl)-5-(tributylstannyl)-1,2,3-triazole
• Synonyms: 1-(METHOXYMETHYL)-5-(TRIBUTYLSTANNYL)-1H-TRIAZOLE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.915787
• LogD (pH = 7.4): 2.9157999
• Log P: 2.9158
• Molar Refractivity: 96.2567 cm^3
• Polarizability: 38.143356 Å^3
• Polar Surface Area: 39.94 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%