Synonyms
1,3-Dimesityl-4,5-Dihydro-1H-Imidazol-3-Ium Tetrafluoroborate
IUPAC Name
1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;tetrafluoroborate
Molecular Weight
394.26
Molecular Formula
C21H27BF4N2
Canonical SMILES
[B-](F)(F)(F)F.CC1=CC(=C(C(=C1)C)N2CC[N+](=C2)C3=C(C=C(C=C3C)C)C)C;
InChI
VNRDQIOMNLIVQJ-UHFFFAOYSA-N
InChI Key
InChI=1S/C21H27N2.BF4/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;2-1(3,4)5/h9-13H,7-8H2,1-6H3;/q+1;-1
Melting Point
290-296 °C
Purity
98%
Appearance
Off-white powder
Complexity
398
Covalently-Bonded Unit Count
2
Exact Mass
394.22g/mol
H-Bond Acceptor
5
Heavy Atom Count
28
Isomeric SMILES
[B-](F)(F)(F)F.CC1=CC(=C(C(=C1)C)N2CC[N+](=C2)C3=C(C=C(C=C3C)C)C)C
Monoisotopic Mass
394.22g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
6.2A^2
