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15185-48-5 | Quinolinium,1-ethyl-2-[3-(1-ethyl-2(1H)-quinolylidene)propenyl]-, iodide, (E,E)- (8CI)
CAS No: 15185-48-5 Catalog No: AG01ASB0 MDL No:MFCD00011975
Product Description
Catalog Number:
AG01ASB0
Chemical Name:
Quinolinium,1-ethyl-2-[3-(1-ethyl-2(1H)-quinolylidene)propenyl]-, iodide, (E,E)- (8CI)
CAS Number:
15185-48-5
Molecular Formula:
C25H25IN2
Molecular Weight:
480.3839
MDL Number:
MFCD00011975
IUPAC Name:
1-ethyl-2-[3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline;iodide
InChI:
InChI=1S/C25H25N2.HI/c1-3-26-22(18-16-20-10-5-7-14-24(20)26)12-9-13-23-19-17-21-11-6-8-15-25(21)27(23)4-2;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1
InChI Key:
QWYZFXLSWMXLDM-UHFFFAOYSA-M
SMILES:
CC[n+]1c(C=CC=c2ccc3c(n2CC)cccc3)ccc2c1cccc2.[I-]
EC Number:
210-099-4
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
2
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