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823819-89-2 | 1H-Imidazolium, 1,1'-(2,6-pyridinediyl)bis[3-(1-methylethyl)-, dibromide
CAS No: 823819-89-2 Catalog No: AG005C2R MDL No:
Product Description
Catalog Number:
AG005C2R
Chemical Name:
1H-Imidazolium, 1,1'-(2,6-pyridinediyl)bis[3-(1-methylethyl)-, dibromide
CAS Number:
823819-89-2
Molecular Formula:
C17H27Br2N5
Molecular Weight:
461.2378
IUPAC Name:
2,6-bis(3-propan-2-yl-1,2-dihydroimidazol-1-ium-1-yl)pyridine;dibromide
InChI:
InChI=1S/C17H25N5.2BrH/c1-14(2)19-8-10-21(12-19)16-6-5-7-17(18-16)22-11-9-20(13-22)15(3)4;;/h5-11,14-15H,12-13H2,1-4H3;2*1H
InChI Key:
YHSJFJBNGZSYJZ-UHFFFAOYSA-N
SMILES:
CC(N1C=C[NH+](C1)c1cccc(n1)[NH+]1C=CN(C1)C(C)C)C.[Br-].[Br-]
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
461.061g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
461.246g/mol
Monoisotopic Mass:
459.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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