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

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

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Catalog Number

ACM247902483-1

Product Name

Structure

CAS

247902-48-3

Product Overview

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

Exact Mass

422.05g/mol

H-Bond Acceptor

Heavy Atom Count

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

Topological Polar Surface Area

17.6A^2

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CAS
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Purity
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247902-48-3
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98%
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