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
Purity
97%
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
