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53440-14-5 | 2-[(1-Ethyl-2(1H)-quinolylidene)methyl]-1-(3-sulfopropyl) quinolinium,inner salt
CAS No: 53440-14-5 Catalog No: AG00DTQN MDL No:
Product Description
Catalog Number:
AG00DTQN
Chemical Name:
2-[(1-Ethyl-2(1H)-quinolylidene)methyl]-1-(3-sulfopropyl) quinolinium,inner salt
CAS Number:
53440-14-5
IUPAC Name:
3-[2-[(1-ethylquinolin-2-ylidene)methyl]quinolin-1-ium-1-yl]propane-1-sulfonate
InChI:
InChI=1S/C24H24N2O3S/c1-2-25-21(14-12-19-8-3-5-10-23(19)25)18-22-15-13-20-9-4-6-11-24(20)26(22)16-7-17-30(27,28)29/h3-6,8-15,18H,2,7,16-17H2,1H3
InChI Key:
OQKFYJKNGFQXDL-UHFFFAOYSA-N
Properties
Complexity:
729
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.151g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.527g/mol
Monoisotopic Mass:
420.151g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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