Synonyms
SCHEMBL1078610; CTK4B0351; I14-93977; AKOS015832933; 1,3-Bis(1-adamantyl)imidazolinium tetrafluoroborate; ACMC-2099up; DTXSID30718742; 1176202-63-3;
IUPAC Name
1,3-bis(1-adamantyl)imidazolidin-1-ium;tetrafluoroborate;
Molecular Weight
426.34
Molecular Formula
C23H35BF4N2
Canonical SMILES
[B-](F)(F)(F)F.C1CN(C[NH+]1C23CC4CC(C2)CC(C4)C3)C56CC7CC(C5)CC(C7)C6;
InChI
InChI=1S/C23H36N2.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/h16-21H,1-15H2;/q;-1/p+1;
InChI Key
AFLPPSBVXPAHAH-UHFFFAOYSA-O;
Purity
98%
Appearance
Solid
Complexity
517
Covalently-Bonded Unit Count
2
Exact Mass
428.299g/mol
H-Bond Acceptor
6
H-Bond Donor
1
Heavy Atom Count
30
Monoisotopic Mass
428.299g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
7.7A^2
