1-(o-Tolyl)Biguanide


Chemical Name: 1-(o-Tolyl)Biguanide
CAS Number: 93-69-6
Product Number: AG00IKGW(AGN-PC-0WA3YQ)
Synonyms:
MDL No:
Molecular Formula: C9H13N5
Molecular Weight: 191.23302

Identification/Properties


Computed Properties
Molecular Weight:
191.238g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
191.117g/mol
Monoisotopic Mass:
191.117g/mol
Topological Polar Surface Area:
103A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
242
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:
Danger
UN#:
1759
Hazard Statements:
H302-H315-H318-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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Chemical Structure



o-Tolylbiguanide, also known as 2-Methylbiguanide, is a versatile chemical compound widely used in various chemical synthesis processes. Due to its unique structure and properties, o-Tolylbiguanide is a valuable reagent in organic chemistry. In particular, it is commonly utilized as a building block for the synthesis of biologically active compounds and pharmaceutical ingredients.In chemical synthesis, o-Tolylbiguanide serves as a key intermediate in the preparation of numerous heterocyclic compounds, such as triazines, pyrimidines, and imidazoles. Its ability to participate in diverse reactions enables the formation of complex molecular structures with specific pharmacological properties. Additionally, o-Tolylbiguanide can undergo substitution reactions, allowing for the introduction of different functional groups to tailor the properties of the final product.Furthermore, o-Tolylbiguanide is employed in the synthesis of guanidine derivatives, which have applications in medicinal chemistry and biological research. Its presence as a core component in these compounds contributes to their therapeutic potential and biological activity. By incorporating o-Tolylbiguanide into the molecular design of various organic molecules, chemists can develop new drugs, agrochemicals, and materials with enhanced performance and specificity.