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Home > Imidazoles > 258278-25-0
258278-25-0 | 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride
CAS No: 258278-25-0 Catalog No: AG003DHC MDL No:MFCD07369796
Product Description
Catalog Number:
AG003DHC
Chemical Name:
1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride
CAS Number:
258278-25-0
Molecular Formula:
C27H39ClN2
Molecular Weight:
427.0650
MDL Number:
MFCD07369796
IUPAC Name:
1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;chloride
InChI:
InChI=1S/C27H39N2.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;/h9-14,17-21H,15-16H2,1-8H3;1H/q+1;/p-1
InChI Key:
LWPXTYZKAWSRIP-UHFFFAOYSA-M
SMILES:
CC(c1cccc(c1N1CC[N+](=C1)c1c(cccc1C(C)C)C(C)C)C(C)C)C.[Cl-]
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.28g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
427.073g/mol
Monoisotopic Mass:
426.28g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
6.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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