3-methoxy-4-(4-methylimidazol-1-yl)aniline


Chemical Name: 3-methoxy-4-(4-methylimidazol-1-yl)aniline
CAS Number: 958245-18-6
Product Number: AG00H7BJ(AGN-PC-07CN2Z)
Synonyms:
MDL No:
Molecular Formula: C11H13N3O
Molecular Weight: 203.2404

Identification/Properties


Properties
BP:
417.2°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
203.245g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
203.106g/mol
Monoisotopic Mass:
203.106g/mol
Topological Polar Surface Area:
53.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
212
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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



With its unique chemical structure, 3-Methoxy-4-(4-methyl-1H-imidazol-1-yl)aniline is a versatile compound that finds application in various chemical syntheses. This compound serves as a valuable building block in the synthesis of pharmaceuticals, agrochemicals, and advanced materials. Its functional groups enable it to participate in key reactions such as nucleophilic substitution, oxidative coupling, and heterocyclic ring formation, allowing for the efficient construction of complex molecular structures. In organic synthesis, 3-Methoxy-4-(4-methyl-1H-imidazol-1-yl)aniline plays a crucial role in the development of novel compounds with diverse biological and material properties.