4-(tributylstannyl)pyridazine

• ChemBase ID: 64141
• Molecular Formular: C16H30N2Sn
• Molecular Mass: 369.1238
• Monoisotopic Mass: 370.14309297
• SMILES: n1nccc([Sn](CCCC)(CCCC)CCCC)c1
• Canonical SMILES: CCCC[Sn](c1ccnnc1)(CCCC)CCCC
• InChI: InChI=1S/C4H3N2.3C4H9.Sn/c1-2-4-6-5-3-1;3*1-3-4-2;/h1,3-4H;3*1,3-4H2,2H3
• InChIKey: UDLLSOQWYYRFPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(tributylstannyl)pyridazine
• IUPAC Traditional name: 4-(tributylstannyl)pyridazine
• Synonyms: (Pyridazin-4-yl)tributylstannane; 4-(Tributylstannyl)-1,2-diazine; 4-(Tributylstannyl)pyridazine

Database IDs

• CAS Number: 194865-89-9
• MDL Number: MFCD07787369
• PubChem SID: 162029880
• PubChem CID: 6409733

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4876366
• LogD (pH = 7.4): 2.4884892
• Log P: 2.4885
• Molar Refractivity: 81.5964 cm^3
• Polarizability: 35.981686 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Toxic/Harmful/Irritant/Moisture Sensitive/Keep Cold/Store under Argon
• TSCA Listed: false

Product Information

• Purity: 96%; 98%