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89389-97-9 | Pyridinium, 1,1'-(1,3-propanediyl)bis[4-(dimethylamino)-, dibromide
CAS No: 89389-97-9 Catalog No: AG003WBC MDL No:
Product Description
Catalog Number:
AG003WBC
Chemical Name:
Pyridinium, 1,1'-(1,3-propanediyl)bis[4-(dimethylamino)-, dibromide
CAS Number:
89389-97-9
Molecular Formula:
C17H26Br2N4
Molecular Weight:
446.2231
IUPAC Name:
1-[3-[4-(dimethylamino)pyridin-1-ium-1-yl]propyl]-N,N-dimethylpyridin-1-ium-4-amine;dibromide
InChI:
InChI=1S/C17H26N4.2BrH/c1-18(2)16-6-12-20(13-7-16)10-5-11-21-14-8-17(9-15-21)19(3)4;;/h6-9,12-15H,5,10-11H2,1-4H3;2*1H/q+2;;/p-2
InChI Key:
VYXFVZBZCAWPDR-UHFFFAOYSA-L
SMILES:
CN(c1cc[n+](cc1)CCC[n+]1ccc(cc1)N(C)C)C.[Br-].[Br-]
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.05g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
446.231g/mol
Monoisotopic Mass:
444.052g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
14.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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