Home Other Building Blocks Benzoxazolium, 3-ethyl-2-[5-(3-ethyl-2(3H)-benzoxazolylidene)-1,3-pentadien-1-yl]-, iodide (1:1)

Benzoxazolium, 3-ethyl-2-[5-(3-ethyl-2(3H)-benzoxazolylidene)-1,3-pentadien-1-yl]-, iodide (1:1)

CAS No.:
14806-50-9
Catalog Number:
AG001FF3
Molecular Formula:
C23H23IN2O2
Molecular Weight:
486.3454
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
200mg
>98.0%(N)
1 week
United States
$120
- +
Product Description
Catalog Number:
AG001FF3
Chemical Name:
Benzoxazolium, 3-ethyl-2-[5-(3-ethyl-2(3H)-benzoxazolylidene)-1,3-pentadien-1-yl]-, iodide (1:1)
CAS Number:
14806-50-9
Molecular Formula:
C23H23IN2O2
Molecular Weight:
486.3454
MDL Number:
MFCD00011953
IUPAC Name:
(2E)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole;iodide
InChI:
InChI=1S/C23H23N2O2.HI/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1
InChI Key:
CLDZYSUDOQXJOU-UHFFFAOYSA-M
SMILES:
CC[n+]1c(C=CC=CC=c2oc3c(n2CC)cccc3)oc2c1cccc2.[I-]
EC Number:
238-873-7
Properties
Complexity:
537  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3  
Exact Mass:
486.08g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
486.353g/mol
Monoisotopic Mass:
486.08g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Photoisomerization of cyanine derivatives in 1-butyl-3-methylimidazolium hexafluorophosphate and aqueous glycerol: influence of specific interactions. The Journal of chemical physics 20080328
Fluorescent quenching method for determination of trace hydrogen peroxide in rain water. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20070701
A G-quadruplex ligand 3,3'-diethyloxadicarbocyanine iodide induces mitochondrion-mediated apoptosis but not decrease of telomerase activity in nasopharyngeal carcinoma NPC-TW01 cells. Pharmaceutical research 20040101
Photophysical and photosensitizing properties of selected cyanines. Journal of photochemistry and photobiology. B, Biology 20020801
Properties