Synonyms
IPr·HCl
IUPAC Name
1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium;chloride
Molecular Weight
425.05
Molecular Formula
C27H37ClN2
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.[Cl-];
InChI
AVJBQMXODCVJCJ-UHFFFAOYSA-M
InChI Key
InChI=1S/C27H37N2.ClH/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;/h9-21H,1-8H3;1H/q+1;/p-1
Melting Point
278 °C(dec.)(lit.)
Purity
98%+
Appearance
Solid
Complexity
421
Covalently-Bonded Unit Count
2
Exact Mass
424.265g/mol
H-Bond Acceptor
1
Heavy Atom Count
30
Isomeric 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.[Cl-]
Monoisotopic Mass
424.265g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
8.8A^2
