N-(nitramidomethyl)nitramide (CED0229075)

Record Information

Version

1.0

Creation Date

2026-08-26 00:16:55 UTC

Update Date

2026-08-26 00:16:55 UTC

Accession Number

CHEM272729

Identification

Common Name

N-(nitramidomethyl)nitramide

Class

Small Molecule

Description

N-(nitramidomethyl)nitramide is an organic compound with the chemical formula CH4N4O4 and an average molecular weight of 136.07 g/mol. N-(nitramidomethyl)nitramide belongs to the organic nitro compounds, a subclass of allyl-type 1,3-dipolar organic compounds within the organic compounds. This substance has been identified in or released from four recorded sources. These include electrical and electronic equipment, specifically relays, as well as building and construction materials such as ceilings and fencing. Additionally, it is found in food, food processing and cookware, specifically in the processing of meats.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

CH₄N₄O₄

Average Molecular Mass

136.070 g/mol

Monoisotopic Mass

136.023 g/mol

CAS Registry Number

14168-44-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/CH4N4O4/c6-4(7)2-1-3-5(8)9/h2-3H,1H2

InChI Key

HSMJRIUFXFAZSY-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

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-004i-9000000000-29ff5150f1979e085f62	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum

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
272.0	Log mg/kg	[150:480]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
233	Brushes	Personal care & cosmetics	Not Available
495	Ceilings	Building & Construction	Not Available
496	Fencing	Building & Construction	Not Available
531	Relays	Electrical & Electronic Equipment	Not Available
552	Processing Meats	Food, food processing & cookware	Not Available
579	Manufacture Of Iron Or Steel	Industrial manufacturing & chemical processing	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
617	Lip Care Products	Personal care & cosmetics	Not Available
630	Toys	Recreation & sports surfaces	Not Available
637	Collar Studs	Textiles, leather & furnishings	Not Available
649	Pins Clothes	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	Endolysin	P00720	Enterobacteria phage T4	Predicted (SEA)	80.4961
Click to view 3D structure	Cystathionine beta-lyase MetC	P06721	Escherichia coli K-12	Predicted (SEA)	261.573
Click to view 3D structure	Putative nitroreductase	Q4A0P1	Staphylococcus saprophyticus subsp. saprophyticus (strain ATCC 15305 / DSM20229 / NCIMB 8711 / NCTC 7292 / S-41)	Predicted (SEA)	98.9464
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	7442.15
Click to view 3D structure	Catechol O-methyltransferase	Q99028	Sus scrofa	Predicted (SEA)	112.648
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	7665.19
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	7541.49
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	7584.3
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	7532.61
Click to view 3D structure	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	7495.63
Click to view 3D structure	Fatty acid synthase	P49327	Humans	Predicted (SEA)	7496.41
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	7724.2
Click to view 3D structure	Metabotropic glutamate receptor 4	Q14833	Humans	Predicted (SEA)	7124.53
Click to view 3D structure	Tyrosine-protein kinase JAK3	P52333	Humans	Predicted (SEA)	7736.11
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	7726.15
Click to view 3D structure	Aurora kinase B	Q96GD4	Humans	Predicted (SEA)	7726.61
Click to view 3D structure	Tyrosine-protein kinase JAK2	O60674	Humans	Predicted (SEA)	7738.21
Click to view 3D structure	Cholinesterase	P06276	Humans	Predicted (SEA)	7662.62
Click to view 3D structure	High affinity nerve growth factor receptor	P04629	Humans	Predicted (SEA)	7728.48
Click to view 3D structure	Thioredoxin reductase	P61076	Plasmodium falciparum 3D7	Predicted (SEA)	107.51
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	7628.52
Click to view 3D structure	Intestinal-type alkaline phosphatase	P24822	Mus musculus	Predicted (SEA)	6192.21
Click to view 3D structure	Catechol O-methyltransferase	P22734	Rattus norvegicus	Predicted (SEA)	1612.18
Click to view 3D structure	Death-associated protein kinase 3	O43293	Humans	Predicted (SEA)	7713.53
Click to view 3D structure	Serine/threonine-protein kinase Chk1	O14757	Humans	Predicted (SEA)	7733.62