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3,3'-Methylenebis(1-tert-butyl-3-imidazolium Bromide)

Catalog Number
ACM247902483-1
Product Name
3,3'-Methylenebis(1-tert-butyl-3-imidazolium Bromide)
Structure
3,3'-Methylenebis(1-tert-butyl-3-imidazolium Bromide)
CAS
247902-48-3
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Synonyms
1H-Imidazolium, 1,1'-methylenebis[3-(1,1-dimethylethyl)-, dibromide
IUPAC Name
1-tert-butyl-3-[(3-tert-butylimidazol-1-ium-1-yl)methyl]imidazol-3-ium;dibromide
Molecular Weight
422.21
Molecular Formula
C15H26Br2N4
Canonical SMILES
CC(C)(C)N1C=C[N+](=C1)C[N+]2=CN(C=C2)C(C)(C)C.[Br-].[Br-];
InChI
WKZMWHMEXVUXBS-UHFFFAOYSA-L
InChI Key
InChI=1S/C15H26N4.2BrH/c1-14(2,3)18-9-7-16(12-18)11-17-8-10-19(13-17)15(4,5)6;;/h7-10,12-13H,11H2,1-6H3;2*1H/q+2;;/p-2
Melting Point
>300 °C
Purity
98%
Appearance
Solid
Storage
Argon filling
Complexity
272
Covalently-Bonded Unit Count
3
Exact Mass
422.05g/mol
H-Bond Acceptor
2
Heavy Atom Count
21
Isomeric SMILES
CC(C)(C)N1C=C[N+](=C1)C[N+]2=CN(C=C2)C(C)(C)C.[Br-].[Br-]
Monoisotopic Mass
420.052g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
17.6A^2
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