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Home > Imidazoles > 258278-28-3
258278-28-3 | 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium-2-ide
CAS No: 258278-28-3 Catalog No: AG003DHA MDL No:MFCD10567379
Product Description
Catalog Number:
AG003DHA
Chemical Name:
1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium-2-ide
CAS Number:
258278-28-3
Molecular Formula:
C27H38N2
Molecular Weight:
390.6040
MDL Number:
MFCD10567379
IUPAC Name:
1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydro-2H-imidazol-1-ium-2-ide
InChI:
InChI=1S/C27H38N2/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/h9-14,18-21H,15-16H2,1-8H3
InChI Key:
XZDYFCGKKKSOEY-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1N1CC[N+](=[C-]1)c1c(cccc1C(C)C)C(C)C)C(C)C)C
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.303g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.615g/mol
Monoisotopic Mass:
390.303g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
6.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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