3H-Pyrazol-3-one, 5-amino-2,4-dihydro-2-phenyl-


Chemical Name: 3H-Pyrazol-3-one, 5-amino-2,4-dihydro-2-phenyl-
CAS Number: 4149-06-8
Product Number: AG003ITU(AGN-PC-0JLQY2)
Synonyms:
MDL No:
Molecular Formula: C9H9N3O
Molecular Weight: 175.1873

Identification/Properties


Properties
MP:
210-215 °C(dec.);(lit.);
BP:
312.3 °C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
175.191g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
175.075g/mol
Monoisotopic Mass:
175.075g/mol
Topological Polar Surface Area:
58.7A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
243
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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