Benzenamine, 2-(3,5-dimethyl-1H-pyrazol-1-yl)-


Chemical Name: Benzenamine, 2-(3,5-dimethyl-1H-pyrazol-1-yl)-
CAS Number: 60418-47-5
Product Number: AG00EBZN(AGN-PC-0NIDRQ)
Synonyms:
MDL No:
Molecular Formula: C11H13N3
Molecular Weight: 187.2410

Identification/Properties


Computed Properties
Molecular Weight:
187.246g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
187.111g/mol
Monoisotopic Mass:
187.111g/mol
Topological Polar Surface Area:
43.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
195
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



In chemical synthesis, 2-(3,5-Dimethyl-1H-pyrazol-1-yl)aniline serves as a versatile building block for the creation of various organic compounds. With its unique structure incorporating a pyrazole ring and an aniline group, this compound can participate in a range of reactions to generate complex molecular structures. Its presence as a functional group can introduce specific reactivity and properties to the final products, making it a valuable tool for organic chemists. By incorporating 2-(3,5-Dimethyl-1H-pyrazol-1-yl)aniline into synthesis pathways, chemists can access a diverse array of compounds with tailored properties for applications in materials science, pharmaceuticals, and agrochemicals.