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82361-90-8 | 8-Quinolinol, 2,2'-(butylimino)bis-
CAS No: 82361-90-8 Catalog No: AG004YML MDL No:
Product Description
Catalog Number:
AG004YML
Chemical Name:
8-Quinolinol, 2,2'-(butylimino)bis-
CAS Number:
82361-90-8
Molecular Formula:
C22H21N3O2
Molecular Weight:
359.4210
IUPAC Name:
2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol
InChI:
InChI=1S/C22H21N3O2/c1-2-3-14-25(19-12-10-15-6-4-8-17(26)21(15)23-19)20-13-11-16-7-5-9-18(27)22(16)24-20/h4-13,26-27H,2-3,14H2,1H3
InChI Key:
AWKZSNHJRJMXCN-UHFFFAOYSA-N
SMILES:
CCCCN(c1ccc2c(n1)c(O)ccc2)c1ccc2c(n1)c(O)ccc2
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.163g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
359.429g/mol
Monoisotopic Mass:
359.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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