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2-(benzyl-methyl-amino)-1-(3-chloro-4-ethoxy-phenyl)ethanol 5419-16-9 98%
Identification and Related Records
【Name】
2-[benzyl(methyl)amino]-1-(3-chloro-4-ethoxyphenyl)ethanol
【Iupac name】
2-[benzyl(methyl)amino]-1-(3-chloro-4-ethoxyphenyl)ethanol hydrochloride
【CAS Registry number】
5419-16-9
【Synonyms】
NSC9642
NSC-9642
5419-16-9
【Molecular Formula】
C18H22ClNO2 (Products with the same molecular formula)
【Molecular Weight】
319.8258
【Inchi】
InChI=1/C18H22ClNO2/c1-3-22-18-10-9-15(11-16(18)19)17(21)13-20(2)12-14-7-5-4-6-8-14/h4-11,17,21H,3,12-13H2,1-2H3
【Canonical SMILES】
CCOC1=C(C=C(C=C1)C(CN(C)CC2=CC=CC=C2)O)Cl.Cl
【MOL File】
5419-16-9.mol
Chemical and Physical Properties
【Density】
1.167g/cm3
【Boiling Point】
451.5°C at 760 mmHg
【Refractive Index】
1.578
【Flash Point】
226.9°C
【Computed Properties】
Molecular Weight:356.28672 [g/mol]
Molecular Formula:C18H23Cl2NO2
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:7
Exact Mass:355.110584
MonoIsotopic Mass:355.110584
Topological Polar Surface Area:32.7
Heavy Atom Count:23
Formal Charge:0
Complexity:310
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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