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Home > Imidazoles > 250285-32-6
250285-32-6 | 1H-Imidazolium, 1,3-bis[2,6-bis(1-methylethyl)phenyl]-, chloride (1:1)
CAS No: 250285-32-6 Catalog No: AG002Q7N MDL No:MFCD02684545
Product Description
Catalog Number:
AG002Q7N
Chemical Name:
1H-Imidazolium, 1,3-bis[2,6-bis(1-methylethyl)phenyl]-, chloride (1:1)
CAS Number:
250285-32-6
Molecular Formula:
C27H39ClN2
Molecular Weight:
427.0650
MDL Number:
MFCD02684545
IUPAC Name:
1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium;chloride
InChI:
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
InChI Key:
AVJBQMXODCVJCJ-UHFFFAOYSA-M
SMILES:
CC(c1cccc(c1N1C=C[NH+](C1)c1c(cccc1C(C)C)C(C)C)C(C)C)C.[Cl-]
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.265g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
425.057g/mol
Monoisotopic Mass:
424.265g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
8.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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