N,n-diethylnitramide (CED0084175)

Record Information

Version

1.0

Creation Date

2026-08-22 15:25:38 UTC

Update Date

2026-08-22 15:25:38 UTC

SynCED ID

CED0084175

Secondary Accession Numbers

CHEM217104

Identification

Common Name

N,n-diethylnitramide

Class

Small Molecule

Description

N,n-diethylnitramide is an organic compound with the formula C4H10N2O2 and an average molecular weight of 118.13 g/mol. N,n-diethylnitramide 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 one recorded source, specifically within household cleaning and consumer products in the form of tobacco smoke filters.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₄H₁₀N₂O₂

Average Molecular Mass

118.130 g/mol

Monoisotopic Mass

118.074 g/mol

CAS Registry Number

7119-92-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C4H10N2O2/c1-3-5(4-2)6(7)8/h3-4H2,1-2H3

InChI Key

QAXAHXNXXIWQIZ-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

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
639.0 Log mg/kg [360:1100]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	PubChem
CEDs000569	Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.	Household cleaning & consumer products	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000735	Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.	Defense & military infrastructure	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem
CEDs01913	Industrial Materials	Industrial manufacturing & chemical processing	PMC9653521
CEDs02952	Gasoline	Energy, oil & gas	PMC9653521

Pathways

0 pathwaysPathway Source: PathBank

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	Gasdermin-D	P57764	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.2 Low confidence Statistical Significance 1.60e-04 Supporting Reference Compounds 2 E-value 1.24559
Click to view 3D structure	Gasdermin-D	Q9D8T2	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.2 Low confidence Statistical Significance 1.60e-04 Supporting Reference Compounds 2 E-value 1.24559
Click to view 3D structure	Ribonuclease SLFN12	Q8IYM2	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.196 Low confidence Statistical Significance 0.0029 Supporting Reference Compounds 1 E-value 22.4984
Click to view 3D structure	Carbamate kinase	O97438	Giardia intestinalis	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.192 Low confidence Statistical Significance 1.60e-04 Supporting Reference Compounds 1 E-value 1.24559
Click to view 3D structure	Endolysin	P00720	Enterobacteria phage T4	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.179 Low confidence Statistical Significance 0.0133 Supporting Reference Compounds 1 E-value 103.695
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.175 Applicability Domain 0.216 Low confidence Statistical Significance 0.8418 Supporting Reference Compounds 472 E-value 6553.35
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.216 Low confidence Statistical Significance 0.8975 Supporting Reference Compounds 406 E-value 6986.73
Click to view 3D structure	Toll-like receptor 9	Q9NR96	Humans	Predicted (SEA)	Prediction Confidence Score 0.173 Applicability Domain 0.19 Low confidence Statistical Significance 0.6638 Supporting Reference Compounds 111 E-value 5167.48
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.216 Low confidence Statistical Significance 0.833 Supporting Reference Compounds 407 E-value 6485.15
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.166 Applicability Domain 0.184 Low confidence Statistical Significance 0.8255 Supporting Reference Compounds 166 E-value 6426.61
Click to view 3D structure	Cholinesterase	P06276	Humans	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.216 Low confidence Statistical Significance 0.9003 Supporting Reference Compounds 234 E-value 7008.92
Click to view 3D structure	Fatty acid synthase	P49327	Humans	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.182 Low confidence Statistical Significance 0.8452 Supporting Reference Compounds 117 E-value 6580.13
Click to view 3D structure	Type-1 angiotensin II receptor	P30556	Humans	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.192 Low confidence Statistical Significance 0.8699 Supporting Reference Compounds 141 E-value 6771.95
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.19 Low confidence Statistical Significance 0.8936 Supporting Reference Compounds 343 E-value 6957.0
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.192 Low confidence Statistical Significance 0.892 Supporting Reference Compounds 332 E-value 6944.07
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.192 Low confidence Statistical Significance 0.909 Supporting Reference Compounds 372 E-value 7076.73
Click to view 3D structure	Neurotensin receptor type 1	P30989	Humans	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.194 Low confidence Statistical Significance 0.662 Supporting Reference Compounds 44 E-value 5153.7
Click to view 3D structure	Organic anion transporter 3	O88909	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.158 Low confidence Statistical Significance 0.0827 Supporting Reference Compounds 1 E-value 643.502
Click to view 3D structure	Catechol O-methyltransferase	P22734	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.208 Low confidence Statistical Significance 0.073 Supporting Reference Compounds 15 E-value 568.689
Click to view 3D structure	Sphingosine 1-phosphate receptor 4	O95977	Humans	Predicted (SEA)	Prediction Confidence Score 0.157 Applicability Domain 0.184 Low confidence Statistical Significance 0.8635 Supporting Reference Compounds 117 E-value 6721.97
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.186 Low confidence Statistical Significance 0.9209 Supporting Reference Compounds 226 E-value 7168.82
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.186 Low confidence Statistical Significance 0.9212 Supporting Reference Compounds 227 E-value 7171.63
Click to view 3D structure	Alpha-ketoglutarate-dependent dioxygenase FTO	Q9C0B1	Humans	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.208 Low confidence Statistical Significance 0.4182 Supporting Reference Compounds 36 E-value 3255.5
Click to view 3D structure	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.186 Low confidence Statistical Significance 0.9225 Supporting Reference Compounds 205 E-value 7181.75
Click to view 3D structure	Fructose-1,6-bisphosphatase 1	P09467	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.24 Low confidence Statistical Significance 0.2761 Supporting Reference Compounds 28 E-value 2149.65