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100-15-2,MFCD00007305
Catalog No.:AA000031
100-15-2 | Benzenamine, N-methyl-4-nitro-
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5g
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25g
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100g
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000031
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
Computed 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  

Synonyms
 
N-methyl-4-nitroaniline 
N-methyl-p-nitroaniline 
N-Monomethyl-p-nitroaniline 
ACN-036783 
N-Methyl-4-nitroaniline, 99% - 100G 100g 
56501-89-4 
p-Nitro-N-methylaniline 
4-Methylaminonitrobenzene 
Aniline, N-methyl-p-nitro- 
NSC 5390 
EINECS 202-823-2 
MFCD00007305 
AI3-08826 
XIFJZJPMHNUGRA-UHFFFAOYSA-N 
methyl(4-nitrophenyl)amine 
N-methyl-para-nitroaniline 
Nitronaniline 
NSC5390 
PubChem21650 
ACMC-1BOXO 
AC1Q1ZJO 
4-methylamino-nitrobenzene 
N-methyl-4-nitro-aniline 
DSSTox_CID_5635 
EC 202-823-2 
4-(Methylamino)nitrobenzene 
N-Methyl-4-nitroaniline 
AC1L1OV4 
AC1Q40XD 
AC1Q40XE 
DSSTox_RID_77862 
DSSTox_GSID_25635 
N-methyl(4-nitrophenyl)amine 
(4-nitro-phenyl)-methylamine 
KSC176G9H 
MLS002415758 
SCHEMBL177790 
100-15-2 
methyl-(4-nitro-phenyl)-amine 
CHEMBL1329734 
DTXSID7025635 
N-Methyl-4-nitroaniline, 97% 
SCHEMBL12707572 
CTK0H6393 
N-(4-Nitrophenyl)-N-methylamine 
N-Methyl-N-(4-nitrophenyl)amine 
HMS3039B06 
N-METHYL-4-NITROBENZENAMINE 
Benzenamine, N-methyl-4-nitro- 
BCP04516 
EBD29012 
NSC-5390 
STR06194 
ZINC3860557 
Tox21_200001 
Aniline, N-methyl-p-nitro- (8CI) 
ANW-14169 
FC1033 
LS-295 
N-Methyl-p-nitroaniline 
N-Methyl-N-(4-nitrophenyl)amine # 
SBB063122 
AKOS002312303 
AS04616 
LS11522 
MCULE-4572130376 
NE10481 
PS-4951 
TRA0077408 
KS-000009W8 
4-Nitro-N-methylaniline 
NCGC00091370-01 
NCGC00091370-02 
NCGC00257555-01 
AJ-46018 
BC646117 
CAS-100-15-2 
CJ-10864 
M771 
SC-65196 
SMR001370918 
N-Methyl-p-nitraniline 
AB1005504 
DB-003080 
TR-000050 
CS-0011554 
FT-0629710 
M1011 
ST45025345 
EN300-15580 
A800059 
AC-907/25014172 
p-(Methylamino)nitrobenzene 
I01-0450 
W-109374 
InChI=1/C7H8N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5,8H,1H 
n-methyl-4-nitroanilin 
N1-methyl-4-nitroaniline 
C7H8N2O2 
CID7483 
C7-H8-N2-O2 
N-Methyl-4-nitroaniline, 97% 5g 
AR-1K7585 
Literature

Title: N-Methyl-4-nitro-anilinium chloride.

Journal: Acta crystallographica. Section E, Structure reports online 20120601

Title: Solvation free energies and hydration structure of N-methyl-p-nitroaniline.

Journal: The Journal of chemical physics 20120421

Title: Methanolysis of thioamide promoted by a simple palladacycle is accelerated by 10(8) over the methoxide-catalyzed reaction.

Journal: Journal of the American Chemical Society 20111221

Title: Biological transformation pathways of 2,4-dinitro anisole and N-methyl paranitro aniline in anaerobic fluidized-bed bioreactors.

Journal: Chemosphere 20101101

Title: 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.

Journal: Microbes and environments 20090101

Title: Physicochemical properties of an insensitive munitions compound, N-methyl-4-nitroaniline (MNA).

Journal: Journal of hazardous materials 20080630

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Photoinduced demethylation of 4-nitro-N,N-dimethylaniline.

Journal: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20020401

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