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127635-66-9 | Pyridinium, 1,1'-(1,10-decanediyl)bis[2-methyl-, dibromide (9CI)
CAS No: 127635-66-9 Catalog No: AG000X8W MDL No:
Product Description
Catalog Number:
AG000X8W
Chemical Name:
Pyridinium, 1,1'-(1,10-decanediyl)bis[2-methyl-, dibromide (9CI)
CAS Number:
127635-66-9
Molecular Formula:
C22H34Br2N2
Molecular Weight:
486.3268
IUPAC Name:
2-methyl-1-[10-(2-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium;dibromide
InChI:
InChI=1S/C22H34N2.2BrH/c1-21-15-9-13-19-23(21)17-11-7-5-3-4-6-8-12-18-24-20-14-10-16-22(24)2;;/h9-10,13-16,19-20H,3-8,11-12,17-18H2,1-2H3;2*1H/q+2;;/p-2
InChI Key:
SRNHVNULPKZXQP-UHFFFAOYSA-L
SMILES:
Cc1cccc[n+]1CCCCCCCCCC[n+]1ccccc1C.[Br-].[Br-]
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
486.107g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
486.336g/mol
Monoisotopic Mass:
484.109g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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