4-(4-amino-5-methyl-2-nitrophenyl)-2-methyl-5-nitroaniline (CED0243012)

Record Information

Version

1.0

Creation Date

2026-08-28 06:17:23 UTC

Update Date

2026-08-28 06:17:23 UTC

Accession Number

CHEM287332

Identification

Common Name

4-(4-amino-5-methyl-2-nitrophenyl)-2-methyl-5-nitroaniline

Class

Small Molecule

Description

4-(4-amino-5-methyl-2-nitrophenyl)-2-methyl-5-nitroaniline belongs to the biphenyls and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the chemical formula C14H14N4O4 and an average molecular weight of 302.29 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₄H₁₄N₄O₄

Average Molecular Mass

Not Available

Monoisotopic Mass

302.102 g/mol

CAS Registry Number

69938-57-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC1=CC(=C(C=C1N)[N+](=O)[O-])C2=C(C=C(C(=C2)C)N)[N+](=O)[O-]

InChI Identifier

InChI=1S/C14H14N4O4/c1-7-3-9(13(17(19)20)5-11(7)15)10-4-8(2)12(16)6-14(10)18(21)22/h3-6H,15-16H2,1-2H3

InChI Key

FDCDAEYGQTVYOH-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
2736.0	Log mg/kg	[1500:4900]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
631	Anthraquinone Dyes	Textiles, leather & furnishings	Not Available
633	Azo Dyes	Textiles, leather & furnishings	Not Available
648	Nitro Dyes	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Carboxylesterase	B3TNN2	Loxostege sticticalis	Predicted (SEA)	0.233548
Click to view 3D structure	Thioredoxin reductase	P61076	Plasmodium falciparum 3D7	Predicted (SEA)	0.934191
Click to view 3D structure	Putative nitroreductase	Q4A0P1	Staphylococcus saprophyticus subsp. saprophyticus (strain ATCC 15305 / DSM20229 / NCIMB 8711 / NCTC 7292 / S-41)	Predicted (SEA)	2.10193
Click to view 3D structure	Catechol O-methyltransferase	P22734	Rattus norvegicus	Predicted (SEA)	10.5096
Click to view 3D structure	Modulator of drug activity A	Q8X6S1	Escherichia coli O157:H7	Predicted (SEA)	0.700643
Click to view 3D structure	Krueppel-like factor 10	Q13118	Humans	Predicted (SEA)	11.7552
Click to view 3D structure	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	322.374
Click to view 3D structure	Genome polyprotein	P29990	dengue virus type 2	Predicted (SEA)	125.804
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	479.24
Click to view 3D structure	Sphingosine 1-phosphate receptor 4	O95977	Humans	Predicted (SEA)	255.112
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	802.47
Click to view 3D structure	G-protein coupled receptor 35	Q9HC97	Humans	Predicted (SEA)	289.988
Click to view 3D structure	DNA (cytosine-5)-methyltransferase 1	P26358	Humans	Predicted (SEA)	382.551
Click to view 3D structure	Catechol O-methyltransferase	Q99028	Sus scrofa	Predicted (SEA)	8.01847
Click to view 3D structure	Endolysin	P00720	Enterobacteria phage T4	Predicted (SEA)	37.3676
Click to view 3D structure	Sphingosine 1-phosphate receptor 1	P21453	Humans	Predicted (SEA)	854.94
Click to view 3D structure	Cystathionine beta-lyase MetC	P06721	Escherichia coli K-12	Predicted (SEA)	27.4029
Click to view 3D structure	G-protein coupled receptor 55	Q9Y2T6	Humans	Predicted (SEA)	691.379
Click to view 3D structure	Arylsulfatase	P51691	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)	Predicted (SEA)	32.9302
Click to view 3D structure	Protein Tat	P04608	Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1)	Predicted (SEA)	340.746
Click to view 3D structure	Dihydrofolate reductase	Q920D2	Rattus norvegicus	Predicted (SEA)	197.971
Click to view 3D structure	Protein S100-A4	P26447	Humans	Predicted (SEA)	13.6236
Click to view 3D structure	Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	Q9BHT9	Plasmodium berghei	Predicted (SEA)	373.754
Click to view 3D structure	Transthyretin	P02766	Humans	Predicted (SEA)	217.9
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	2439.09