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4727-49-5 | 1,1′-Diethyl-4,4′-cyanine iodide
CAS No: 4727-49-5 Catalog No: AG003D73 MDL No:MFCD00151338
Product Description
Catalog Number:
AG003D73
Chemical Name:
1,1′-Diethyl-4,4′-cyanine iodide
CAS Number:
4727-49-5
MDL Number:
MFCD00151338
IUPAC Name:
(4E)-1-ethyl-4-[(1-ethylquinolin-1-ium-4-yl)methylidene]quinoline;iodide
InChI:
InChI=1S/C23H23N2.HI/c1-3-24-15-13-18(20-9-5-7-11-22(20)24)17-19-14-16-25(4-2)23-12-8-6-10-21(19)23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1
InChI Key:
BFVPXROCOCTNOP-UHFFFAOYSA-M
EC Number:
225-223-2
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
454.091g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
454.355g/mol
Monoisotopic Mass:
454.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
7.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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