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20187-38-6 | Quinolinium, 1-ethyl-2-[3-(1-ethyl-2(1H)-quinolinylidene)-1-propen-1-yl]-
CAS No: 20187-38-6 Catalog No: AG0027WS MDL No:
Product Description
Catalog Number:
AG0027WS
Chemical Name:
Quinolinium, 1-ethyl-2-[3-(1-ethyl-2(1H)-quinolinylidene)-1-propen-1-yl]-
CAS Number:
20187-38-6
Molecular Formula:
C25H25N2+
Molecular Weight:
353.4794
IUPAC Name:
1-ethyl-2-[3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline
InChI:
InChI=1S/C25H25N2/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/q+1
InChI Key:
HQCBCYUEDZNVBO-UHFFFAOYSA-N
SMILES:
CC[n+]1c(C=CC=c2ccc3c(n2CC)cccc3)ccc2c1cccc2
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.202g/mol
Formal Charge:
1
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.489g/mol
Monoisotopic Mass:
353.202g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
7.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
6.3
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