4-amino-1,5-dimethyl-2-phenylpyrazol-3-one;hydrochloride


Chemical Name: 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one;hydrochloride
CAS Number: 22198-72-7
Product Number: AG003KNH(AGN-PC-0JLAPV)
Synonyms:
MDL No:
Molecular Formula: C11H14ClN3O
Molecular Weight: 239.7014

Identification/Properties


Properties
MP:
220-225 °C
BP:
309°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
239.703g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
239.083g/mol
Monoisotopic Mass:
239.083g/mol
Topological Polar Surface Area:
49.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
305
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319
Precautionary Statements:
P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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