2-methoxy-3-(tributylstannyl)pyrazine

• ChemBase ID: 64238
• Molecular Formular: C17H32N2OSn
• Molecular Mass: 399.14978
• Monoisotopic Mass: 400.15365765
• SMILES: c1(c(nccn1)OC)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1nccnc1OC)(CCCC)CCCC
• InChI: InChI=1S/C5H5N2O.3C4H9.Sn/c1-8-5-4-6-2-3-7-5;3*1-3-4-2;/h2-3H,1H3;3*1,3-4H2,2H3
• InChIKey: MEKPDHIMYRRQFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-3-(tributylstannyl)pyrazine
• IUPAC Traditional name: 2-methoxy-3-(tributylstannyl)pyrazine
• Synonyms: 2-Methoxy-3-(tributylstannyl)pyrazine; 2-(Tributylstannyl)-3-methoxypyrazine; 2-Methoxy-3-(tributylstannyl)pyrazine

Database IDs

• CAS Number: 1105511-65-6
• MDL Number: MFCD09025812
• PubChem SID: 162029977
• PubChem CID: 16427136

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.6515636
• LogD (pH = 7.4): 3.6515996
• Log P: 3.6516
• Molar Refractivity: 86.6664 cm^3
• Polarizability: 38.526722 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >110 °C; >230 °F
• Density: 1.167 g/mL at 25 °C
• Refractive Index: n20/D 1.515

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• German water hazard class: 3
• Risk Statements: 21-25-36/38-48/23/25-50/53
• Safety Statements: 36/37/39-45-60-61
• TSCA Listed: false
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H312-H315-H319-H372-H410
• GHS Precautionary statements: P273-P280-P301 + P310-P305 + P351 + P338-P314-P501

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C17H32N2OSn

DETAILS

Sigma Aldrich - 731684

Packaging
1, 5 g in glass bottle