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7411-47-4 | morfamquat (ISO) 1,1'-bis(3,5-dimethylmorpholinocarbonylmethyl)-4,4'-bipyridilium ion
CAS No: 7411-47-4 Catalog No: AG00FTYJ MDL No:
Product Description
Catalog Number:
AG00FTYJ
Chemical Name:
morfamquat (ISO) 1,1'-bis(3,5-dimethylmorpholinocarbonylmethyl)-4,4'-bipyridilium ion
CAS Number:
7411-47-4
IUPAC Name:
1-(3,5-dimethylmorpholin-4-yl)-2-[4-[1-[2-(3,5-dimethylmorpholin-4-yl)-2-oxoethyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethanone
InChI:
InChI=1S/C26H36N4O4/c1-19-15-33-16-20(2)29(19)25(31)13-27-9-5-23(6-10-27)24-7-11-28(12-8-24)14-26(32)30-21(3)17-34-18-22(30)4/h5-12,19-22H,13-18H2,1-4H3/q+2
InChI Key:
UBAQQOLXBOKEHR-UHFFFAOYSA-N
Properties
Complexity:
612
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.274g/mol
Formal Charge:
2
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
468.598g/mol
Monoisotopic Mass:
468.274g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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