Synonyms
MFCD28411634;1,3-Bis(2,6-di-i-propylphenyl)imidazolium bicarbonate;1663476-15-0;
IUPAC Name
1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium;hydrogen carbonate;
Molecular Weight
450.623g/mol
Molecular Formula
C28H38N2O3;
Canonical SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2)C3=C(C=CC=C3C(C)C)C(C)C.C(=O)(O)[O-];
InChI
InChI=1S/C27H37N2.CH₂O3/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;2-1(3)4/h9-21H,1-8H3;(H2,2,3,4)/q+1;/p-1;
InChI Key
SJZXQLQEVHESQH-UHFFFAOYSA-M;
Complexity
446
Covalently-Bonded Unit Count
2
Exact Mass
450.288g/mol
H-Bond Acceptor
3
H-Bond Donor
1
Heavy Atom Count
33
Monoisotopic Mass
450.288g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
69.2A^2
