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1-[2-(4-chlorophenyl)-8-methyl-quinolin-4-yl]-2-(dibutylamino)ethanol 5455-93-6 98%
【Name】
1-[2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dibutylamino)ethanol
【Iupac name】
1-[2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(dibutylamino)ethanol
hydrochloride
【CAS Registry number】
5455-93-6
【Synonyms】
5455-93-6
NSC13639
NSC-13639
1-[2-(4-CHLOROPHENYL)-8-METHYLQUINOLIN-4-YL]-2-(DIBUTYLAMINO)ETHANOL HYDROCHLORIDE
【Molecular Formula】
C26H33ClN2O (Products with the same molecular formula)
【Molecular Weight】
425.006
【Inchi】
InChI=1/C26H33ClN2O/c1-4-6-15-29(16-7-5-2)18-25(30)23-17-24(20-11-13-21(27)14-12-20)28-26-19(3)9-8-10-22(23)26/h8-14,17,25,30H,4-7,15-16,18H2,1-3H3
【Canonical SMILES】
CCCCN(CCCC)CC(C1=CC(=NC2=C1C=CC=C2C)C3=CC=C(C=C3)Cl)O.Cl
【MOL File】
5455-93-6.mol
Chemical and Physical Properties
【Density】
1.116g/cm3
【Boiling Point】
587.2°C at 760 mmHg
【Refractive Index】
1.589
【Flash Point】
308.9°C
【Computed Properties】
Molecular Weight:461.46696 [g/mol]
Molecular Formula:C26H34Cl2N2O
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:10
Exact Mass:460.204819
MonoIsotopic Mass:460.204819
Topological Polar Surface Area:36.4
Heavy Atom Count:31
Formal Charge:0
Complexity:474
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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