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52260-69-2 | 1-ethyl-2-[3-(1-ethyl-2-methyl-4(1H)-quinolylidene)prop-1-enyl]-4-methylquinolinium iodide
CAS No: 52260-69-2 Catalog No: AG00DTQR MDL No:
Product Description
Catalog Number:
AG00DTQR
Chemical Name:
1-ethyl-2-[3-(1-ethyl-2-methyl-4(1H)-quinolylidene)prop-1-enyl]-4-methylquinolinium iodide
CAS Number:
52260-69-2
IUPAC Name:
1-ethyl-2-[3-(1-ethyl-2-methylquinolin-4-ylidene)prop-1-enyl]-4-methylquinolin-1-ium;iodide
InChI:
InChI=1S/C27H29N2.HI/c1-5-28-21(4)19-22(25-15-8-10-17-27(25)28)12-11-13-23-18-20(3)24-14-7-9-16-26(24)29(23)6-2;/h7-19H,5-6H2,1-4H3;1H/q+1;/p-1
InChI Key:
PGPWDXMONHNWIC-UHFFFAOYSA-M
EC Number:
257-795-4
Properties
Complexity:
645
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
508.138g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
508.447g/mol
Monoisotopic Mass:
508.138g/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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