1,3-Bis(1-adamantyl)imidazolium tetrafluoroborate

• Catalog Number: ACM286014424-3
• Product Name: 1,3-Bis(1-adamantyl)imidazolium tetrafluoroborate
• CAS: 286014-42-4
• Category: Heterocyclic Organic Compound
• Synonyms: IAd·HBF4; N,N'-(Adamantyl)imidazolium tetrafluoroborate; 1,3-Bis(tricyclo[3.3.1.13,7]dec-1-yl)-1H-imidazolium tetrafluoroborate
• IUPAC Name: 1,3-bis(1-adamantyl)imidazol-1-ium;tetrafluoroborate
• Molecular Weight: 424.33
• Molecular Formula: C23H33BF4N2
• Canonical SMILES: [B-](F)(F)(F)F.C1C2CC3CC1CC(C2)(C3)N4C=C[N+](=C4)C56CC7CC(C5)CC(C7)C6
• InChI: KVWCCJYLKCSVME-UHFFFAOYSA-N
• InChI Key: InChI=1S/C23H33N2.BF4/c1-2-25(23-12-19-6-20(13-23)8-21(7-19)14-23)15-24(1)22-9-16-3-17(10-22)5-18(4-16)11-22;2-1(3,4)5/h1-2,15-21H,3-14H2;/q+1;-1
• Melting Point: 277-282 °C
• Appearance: White to brown powder
• Complexity: 467
• Covalently-Bonded Unit Count: 2
• Exact Mass: 424.267g/mol
• H-Bond Acceptor: 5
• Heavy Atom Count: 30
• Isomeric SMILES: [B-](F)(F)(F)F.C1C2CC3CC1CC(C2)(C3)N4C=C[N+](=C4)C56CC7CC(C5)CC(C7)C6
• Monoisotopic Mass: 424.267g/mol
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 8.8A^2