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2-(dipentylamino)-1-(6-methoxy-2-phenyl-quinolin-4-yl)ethanol 5443-00-5 98%
Identification and Related Records
【Name】
2-(dipentylamino)-1-(6-methoxy-2-phenylquinolin-4-yl)ethanol
【CAS Registry number】
5443-00-5
【Molecular Formula】
C28H38N2O2 (Products with the same molecular formula)
【Molecular Weight】
434.6135
【Inchi】
InChI=1/C28H38N2O2/c1-4-6-11-17-30(18-12-7-5-2)21-28(31)25-20-27(22-13-9-8-10-14-22)29-26-16-15-23(32-3)19-24(25)26/h8-10,13-16,19-20,28,31H,4-7,11-12,17-18,21H2,1-3H3
【Canonical SMILES】
CCCCCN(CCCCC)CC(C1=CC(=NC2=C1C=C(C=C2)OC)C3=CC=CC=C3)O.[Cl-]
【Isomers smiles】
CCCCCN(CCCCC)CC(C1=CC(=NC2=C1C=C(C=C2)OC)C3=CC=CC=C3)O.[Cl-]
【MOL File】
5443-00-5.mol
Chemical and Physical Properties
【Density】
1.061g/cm3
【Boiling Point】
601.1°C at 760 mmHg
【Refractive Index】
1.571
【Flash Point】
317.4°C
【Computed Properties】
Molecular Weight:470.06652 [g/mol]
Molecular Formula:C28H38ClN2O2-
H-Bond Donor:1
H-Bond Acceptor:5
Rotatable Bond Count:13
Exact Mass:469.262181
MonoIsotopic Mass:469.262181
Topological Polar Surface Area:45.6
Heavy Atom Count:33
Formal Charge:-1
Complexity:486
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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