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100-15-2

100-15-2 | Benzenamine, N-methyl-4-nitro-

CAS No: 100-15-2 Catalog No: AG00005T MDL No:MFCD00007305

Product Description

Catalog Number:
AG00005T
Chemical Name:
Benzenamine, N-methyl-4-nitro-
CAS Number:
100-15-2
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
MDL Number:
MFCD00007305
IUPAC Name:
N-methyl-4-nitroaniline
InChI:
InChI=1S/C7H8N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5,8H,1H3
InChI Key:
XIFJZJPMHNUGRA-UHFFFAOYSA-N
SMILES:
CNc1ccc(cc1)[N+](=O)[O-]
EC Number:
202-823-2
NSC Number:
5390
UN Number:
1661

Properties

Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.059g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
152.153g/mol
Monoisotopic Mass:
152.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Literature

Title Journal
N-Methyl-4-nitro-anilinium chloride. Acta crystallographica. Section E, Structure reports online 20120601
Solvation free energies and hydration structure of N-methyl-p-nitroaniline. The Journal of chemical physics 20120421
Methanolysis of thioamide promoted by a simple palladacycle is accelerated by 10(8) over the methoxide-catalyzed reaction. Journal of the American Chemical Society 20111221
Biological transformation pathways of 2,4-dinitro anisole and N-methyl paranitro aniline in anaerobic fluidized-bed bioreactors. Chemosphere 20101101
Analysis of bacterial community diversity in anaerobic fluidized bed bioreactors treating 2,4-dinitroanisole (DNAN) and n-methyl-4-nitroaniline (MNA) using 16S rRNA gene clone libraries. Microbes and environments 20090101
Physicochemical properties of an insensitive munitions compound, N-methyl-4-nitroaniline (MNA). Journal of hazardous materials 20080630
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Photoinduced demethylation of 4-nitro-N,N-dimethylaniline. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20020401

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