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

Catalog Number	ACM286014424-3
CAS	286014-42-4
Structure
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
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