2-[(4-tert-butylphenyl)methyl]-6-fluoro-1-undecyl-3,4-dihydroisoquinolin-2-ium;bromide


Chemical Name: 2-[(4-tert-butylphenyl)methyl]-6-fluoro-1-undecyl-3,4-dihydroisoquinolin-2-ium;bromide
CAS Number: 914917-58-1
Product Number: AG00GXQW(AGN-PC-07A1ZV)
Synonyms:
MDL No: MFCD09840675
Molecular Formula: C31H45BrFN
Molecular Weight: 530.5981032

Identification/Properties


Properties
MP:
143-145°C
Storage:
-10 ℃;Inert atmosphere;
Form:
Solid
Computed Properties
Molecular Weight:
530.61g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
13
Exact Mass:
529.272g/mol
Monoisotopic Mass:
529.272g/mol
Topological Polar Surface Area:
3A^2
Heavy Atom Count:
34
Formal Charge:
0
Complexity:
580
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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