1,3-Benzenediamine, N1,N1-dimethyl-4-nitro-


Chemical Name: 1,3-Benzenediamine, N1,N1-dimethyl-4-nitro-
CAS Number: 20691-71-8
Product Number: AG002IRZ(AGN-PC-0KK628)
Synonyms:
MDL No:
Molecular Formula: C8H11N3O2
Molecular Weight: 181.1918

Identification/Properties


Computed Properties
Molecular Weight:
181.195g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
181.085g/mol
Monoisotopic Mass:
181.085g/mol
Topological Polar Surface Area:
75.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
190
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:
H315-H319
Precautionary Statements:
P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



N1,N1-Dimethyl-4-nitrobenzene-1,3-diamine is a key intermediate utilized in chemical synthesis processes. This compound plays a vital role in organic chemistry reactions, serving as a versatile building block for the creation of various compounds. Its unique structure enables it to participate in different types of reactions, leading to the synthesis of complex organic molecules. In particular, N1,N1-Dimethyl-4-nitrobenzene-1,3-diamine is commonly employed in the formation of heterocyclic compounds, pharmaceuticals, and agrochemicals due to its ability to introduce specific functional groups and enhance molecular diversity. Its application in chemical synthesis facilitates the development of new materials and compounds with valuable properties.