AG003D8T

6159-05-3 | 1,1'-Diheptyl-[4,4'-bipyridine]-1,1'-diium bromide

AG003D8T

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CAS Number	6159-05-3
Catalog Number	AG003D8T(AGN-PC-0JLSJN)
Chemical Name	1,1'-Diheptyl-[4,4'-bipyridine]-1,1'-diium bromide
EC Number	228-178-7
IUPAC Name	1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium;dibromide
InChI	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
InChI Key	VRXAJMCFEOESJO-UHFFFAOYSA-L
MDL Number	MFCD00011997
Molecular Formula	C24H38Br2N2
Molecular Weight	514.3799
SMILES	CCCCCCC[N+]1=CC=C(C2=CC=[N+](CCCCCCC)C=C2)C=C1.[Br-].[Br-]
Synonyms	1,1'-diheptyl-4,4'-bipyridinium, 1,1'-diheptyl-4,4'-bipyridinium dibromide, 6159-05-3, DHBP dibromide, 1,1'-Diheptyl-4,4'-bipyridinium dibromide, 1,1'-Diheptyl-[4,4'-bipyridine]-1,1'-diium bromide, DHBP (dibromide), 1,1'-di-n-Heptyl-4,4'-bipyridinium dibromide, 4,4'-Bipyridinium, 1,1'-diheptyl-, dibromide, 4,4'-Bipyridinium, 1,1'-diheptyl-, bromide (1:2), SR-01000396821, 1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium dibromide, AC1Q2VTT, AC1L2Z3J, AC1LC27M, SCHEMBL598489, ACMC-209t65, C24H38Br2N2, CTK8B3244, VRXAJMCFEOESJO-UHFFFAOYSA-L, HMS3266J14, HMS3675P05, EINECS 228-178-7, 9243AB, ANW-42075, BS0061, MFCD00011997, AKOS002529411, CS-6966, MCULE-1803208755, VZ20268, KS-0000148H, AK114625, AX8001689, HY-101237, N,N'-Diheptyl-4,4'-bipyridinium dibromide, TR-021208, B6468, D1593, N, N'-diheptyl-4,4'-bipyridinium dibromide, 1,1'-Diheptyl-4,4'-bipyridinium dibromide, 97%, C-23022, SR-01000396821-2, 1,1'-diheptyl-4,4'-bipyridine-1,1'-diium bromide, 4,4'-Bipyridinium,1,1'-diheptyl-, bromide (1:2), 1,1'-Diheptyl-4,4'-bipyridiniumDibromide[forElectrochromicMaterial], 1,1'-Diheptyl-4,4'-bipyridinium Dibromide [for Electrochromic Material], 1,1 inverted exclamation marka-Diheptyl-4,4 inverted exclamation marka-bipyridinium dibromide, 180858_ALDRICH, KST-1A9431, 1,1'-diheptyl-4,4'-bipyridinium, CID80262, AR-1B4627, 1,1/'-Diheptyl-4,4/'-bipyridinium dibromide, 6294-04-8,

Complexity	282
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	514.138g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	514.39g/mol
Monoisotopic Mass	512.14g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	7.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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