4-[(6-aminopyrimidin-4-yl)amino]benzenesulfonamide;hydrochloride


Chemical Name: 4-[(6-aminopyrimidin-4-yl)amino]benzenesulfonamide;hydrochloride
CAS Number: 21886-12-4
Product Number: AG00BCJN(AGN-PC-015JPQ)
Synonyms:
MDL No: MFCD00023272
Molecular Formula: C10H12ClN5O2S
Molecular Weight: 301.75258

Identification/Properties


Computed Properties
Molecular Weight:
301.749g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
3
Exact Mass:
301.04g/mol
Monoisotopic Mass:
301.04g/mol
Topological Polar Surface Area:
132A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
361
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



PNU 112455A hydrochloride is a versatile chemical reagent commonly utilized in chemical synthesis applications. This compound serves as a powerful catalyst in organic reactions, facilitating the formation of complex molecular structures with high efficiency and selectivity. Its unique chemical properties make it particularly valuable in the synthesis of pharmaceutical intermediates, agrochemicals, and specialty chemicals. PNU 112455A hydrochloride enables chemists to streamline synthetic routes, improve reaction yields, and enhance the overall cost-effectiveness of their processes. Its broad compatibility with a variety of substrates and functional groups makes it a valuable tool for advancing research and development in the field of organic chemistry.