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2-(dihexylamino)-1-(2-phenylquinolin-4-yl)ethanol 5431-83-4 98%
【Name】
2-(dihexylamino)-1-(2-phenylquinolin-4-yl)ethanol
【CAS Registry number】
5431-83-4
【Molecular Formula】
C29H40N2O (Products with the same molecular formula)
【Molecular Weight】
432.6407
【Inchi】
InChI=1/C29H40N2O/c1-3-5-7-14-20-31(21-15-8-6-4-2)23-29(32)26-22-28(24-16-10-9-11-17-24)30-27-19-13-12-18-25(26)27/h9-13,16-19,22,29,32H,3-8,14-15,20-21,23H2,1-2H3
【Canonical SMILES】
CCCCCCN(CCCCCC)CC(C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3)O.[Cl-]
【Isomers smiles】
CCCCCCN(CCCCCC)CC(C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3)O.[Cl-]
【MOL File】
5431-83-4.mol
Chemical and Physical Properties
【Density】
1.033g/cm3
【Boiling Point】
594.6°C at 760 mmHg
【Refractive Index】
1.569
【Flash Point】
313.4°C
【Computed Properties】
Molecular Weight:468.0937 [g/mol]
Molecular Formula:C29H40ClN2O-
H-Bond Donor:1
H-Bond Acceptor:4
Rotatable Bond Count:14
Exact Mass:467.282917
MonoIsotopic Mass:467.282917
Topological Polar Surface Area:36.4
Heavy Atom Count:33
Formal Charge:-1
Complexity:466
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2
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