Tetrabutylammonium Fluoride Trihydrate

• Catalog: OFC87749506-1
• CAS: 87749-50-6
• Category: Inorganic Fluorides
• Synonyms: Tetrabutylazanium Fluoride Trihydrate
• Purity: >99%
• MDL Number: MFCD00149981

• IUPAC Name: tetrabutylazanium fluoride trihydrate
• InChI: InChI=1S/C16H36N.FH.3H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;/h5-16H2,1-4H3;1H;3*1H2/q+1;;;;/p-1
• InChI Key: VEPTXBCIDSFGBF-UHFFFAOYSA-M
• Isomeric SMILES: CCCC[N+](CCCC)(CCCC)CCCC.O.O.O.[F-]
• Canonical SMILES: [F-].O.O.O.C([N+](CCCC)(CCCC)CCCC)CCC
• EC Number: 207-057-2

• Molecular Formula: C16H42FNO3
• Molecular Weight: 315.51
• Melting Point: 63 °C (145 °F)
• Appearance: Solid

• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 315.314872
• Monoisotopic Mass: 315.314872
• Topological Polar Surface Area: 3Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 116