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Home Other Building Blocks 1-Ethyl-4-(3-(1-ethylquinolin-4(1H)-ylidene)prop-1-en-1-yl)quinolin-1-ium iodide

1-Ethyl-4-(3-(1-ethylquinolin-4(1H)-ylidene)prop-1-en-1-yl)quinolin-1-ium iodide

CAS No.:
4727-50-8
Catalog Number:
AG003D8E
Molecular Formula:
C25H25IN2
Molecular Weight:
480.3839
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
200mg
>98.0%(HPLC)
1 week
United States
$96
- +
1g
>98.0%(HPLC)
1 week
United States
$245
- +
Product Description
Catalog Number:
AG003D8E
Chemical Name:
1-Ethyl-4-(3-(1-ethylquinolin-4(1H)-ylidene)prop-1-en-1-yl)quinolin-1-ium iodide
CAS Number:
4727-50-8
Molecular Formula:
C25H25IN2
Molecular Weight:
480.3839
MDL Number:
MFCD00011970
IUPAC Name:
(4E)-1-ethyl-4-[(E)-3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline;iodide
InChI:
InChI=1S/C25H25N2.HI/c1-3-26-18-16-20(22-12-5-7-14-24(22)26)10-9-11-21-17-19-27(4-2)25-15-8-6-13-23(21)25;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1
InChI Key:
CEJANLKHJMMNQB-UHFFFAOYSA-M
SMILES:
CCn1ccc(=CC=Cc2cc[n+](c3c2cccc3)CC)c2c1cccc2.[I-]
EC Number:
225-224-8
Properties
Complexity:
527  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2  
Exact Mass:
480.106g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
480.393g/mol
Monoisotopic Mass:
480.106g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
7.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Tracking ultrafast excited-state bond-twisting motion in solution close to the Franck-Condon point. The journal of physical chemistry. B 20070531
Properties