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87236-65-5 | 8-Quinolinol, 5,7-bis[(dibutylamino)methyl]-
CAS No: 87236-65-5 Catalog No: AG004MN3 MDL No:
Product Description
Catalog Number:
AG004MN3
Chemical Name:
8-Quinolinol, 5,7-bis[(dibutylamino)methyl]-
CAS Number:
87236-65-5
Molecular Formula:
C27H45N3O
Molecular Weight:
427.6657
IUPAC Name:
5,7-bis[(dibutylamino)methyl]quinolin-8-ol
InChI:
InChI=1S/C27H45N3O/c1-5-9-16-29(17-10-6-2)21-23-20-24(22-30(18-11-7-3)19-12-8-4)27(31)26-25(23)14-13-15-28-26/h13-15,20,31H,5-12,16-19,21-22H2,1-4H3
InChI Key:
YUWNASBXDYYGCA-UHFFFAOYSA-N
SMILES:
CCCCN(Cc1cc(CN(CCCC)CCCC)c2c(c1O)nccc2)CCCC
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.356g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
427.677g/mol
Monoisotopic Mass:
427.356g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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