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Structure

1,1-Di-N-heptyl-4,4-bipyridinium dibromide

CAS
6159-05-3
Catalog Number
ACM6159053
Category
Organic & Printed Electronics
Molecular Weight
514.38
Molecular Formula
C24H38Br2N2

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Specification

Synonyms
DIHEPTYLVIOLOGEN DIBROMIDE;DHBP DIBROMIDE;1,1-DI-N-HEPTYL-4,4-BIPYRIDINIUM DIBROMIDE;1,1-DIHEPTYL-4,4-BIPYRIDINIUM DIBROMIDE;N,N-DIHEPTYL-4,4-BIPYRIDINIUM DIBROMIDE;forelectrochromicmaterial;1,1-Diheptyl-4,4-bipyridinium Dibromide [for Electrochromic Mate
IUPAC Name
1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium dibromide
Canonical SMILES
CCCCCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCCCC.[Br-].[Br-]
InChI Key
VRXAJMCFEOESJO-UHFFFAOYSA-L
Melting Point
285ºC (dec.)(lit.)
Appearance
yellow to yellow-green powder or flakes
EC Number
228-178-7
Exact Mass
512.14000
Hazard Statements
Xi
H-Bond Acceptor
2
H-Bond Donor
0
Safety Description
26-37/39
WGK Germany
3
What is the molecular formula of 1,1-Di-N-heptyl-4,4-bipyridinium dibromide?

The molecular formula is C24H38Br2N2.

What is the molecular weight of 1,1-Di-N-heptyl-4,4-bipyridinium dibromide?

The molecular weight is 514.4 g/mol.

What is the IUPAC name of 1,1-Di-N-heptyl-4,4-bipyridinium dibromide?

The IUPAC name is 1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium;dibromide.

What is the InChI of 1,1-Di-N-heptyl-4,4-bipyridinium dibromide?

The InChI is InChI=1S/C24H38N2.2BrH/c1-3-5-7-9-11-17-25-19-13-23(14-20-25)24-15-21-26(22-16-24)18-12-10-8-6-4-2;;/h13-16,19-22H,3-12,17-18H2,1-2H3;2*1H/q+2;;/p-2.

What is the InChIKey of 1,1-Di-N-heptyl-4,4-bipyridinium dibromide?

The InChIKey is VRXAJMCFEOESJO-UHFFFAOYSA-L.

What is the canonical SMILES of 1,1-Di-N-heptyl-4,4-bipyridinium dibromide?

The canonical SMILES is CCCCCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCCCC.[Br-].[Br-].

What is the CAS number of 1,1-Di-N-heptyl-4,4-bipyridinium dibromide?

The CAS number is 6159-05-3.

What is the European Community (EC) number of 1,1-Di-N-heptyl-4,4-bipyridinium dibromide?

The European Community (EC) number is 228-178-7.

Is 1,1-Di-N-heptyl-4,4-bipyridinium dibromide a canonicalized compound?

Yes, 1,1-Di-N-heptyl-4,4-bipyridinium dibromide is a canonicalized compound.

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