4(1H)-Pyrimidinone, 2-amino-6-(trifluoromethyl)-


Chemical Name: 4(1H)-Pyrimidinone, 2-amino-6-(trifluoromethyl)-
CAS Number: 1513-69-5
Product Number: AG001N9L(AGN-PC-0JOB39)
Synonyms:
MDL No:
Molecular Formula: C5H4F3N3O
Molecular Weight: 179.1000

Identification/Properties


Properties
MP:
289.5-293.5 °C(lit.)
BP:
187°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
179.102g/mol
XLogP3:
-0.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
179.031g/mol
Monoisotopic Mass:
179.031g/mol
Topological Polar Surface Area:
67.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
278
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:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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