Diethylhydroxylamine (CED0021756)

Record Information

Version

1.0

Creation Date

2016-05-19 03:49:12 UTC

Update Date

2026-08-22 15:36:01 UTC

Accession Number

CHEM012065

Identification

Common Name

Diethylhydroxylamine

Class

Small Molecule

Description

Diethylhydroxylamine is an organic nitrogen compound with the chemical formula C4H11NO and an average molecular weight of 89.14 g/mol. Diethylhydroxylamine belongs to the n-organohydroxylamines, a subclass of organonitrogen compounds within the organic compounds. This compound is found in or released from 28 recorded sources across various sectors. Within the electrical and electronic equipment sector, it is associated with antennas, discharge lamps, fixed capacitors and their manufacture, gas filled discharge tubes with solid cathode, and radio transmission systems. It is detected in drinking water and water supply sources, including drinking water, tap water, bottled water, and desalinated water. It is also present in aquatic systems and sediments, specifically in groundwater, surface water, seawater, and freshwater. In the realm of wastewater, sanitation, and biosolids, the compound appears in industrial wastewater, mine wastewater, unspecified wastewater, and wastewater treatment effluent. Additionally, it is linked to appliances, HVAC, and refrigerants, specifically water coolers and water heaters, as well as building and construction materials such as roofs and waterproofing sprays, among five more sectors. Recorded exposure routes for diethylhydroxylamine include inhalation, oral, and touch.

Contaminant Type

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
N,N-Diethylhydroxylamine sulfate (2:1)	MeSH
N,N-Diethylhydroxylamine oxalate (1:1)	MeSH
N,N-Diethylhydroxylamine oxalate	MeSH
Diethylhydroxylamine	MeSH
N,N-Diethylhydroxylamine sulfate (1:1)	MeSH

Chemical Formula

C₄H₁₁NO

Average Molecular Mass

89.138 g/mol

Monoisotopic Mass

89.084 g/mol

CAS Registry Number

3710-84-7

IUPAC Name

N,N-diethylhydroxylamine

Traditional Name

diethylhydroxylamine

SMILES

CCN(O)CC

InChI Identifier

InChI=1S/C4H11NO/c1-3-5(6)4-2/h6H,3-4H2,1-2H3

InChI Key

FVCOIAYSJZGECG-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-organohydroxylamines. These are organic compounds comprising the hydroxylamine functional group, with the general structure R1ON(R2)R3 (R1,R3=H, organyl; R2 = organyl).

Kingdom

Organic compounds

Super Class

Organic nitrogen compounds

Class

Organonitrogen compounds

Sub Class

N-organohydroxylamines

Direct Parent

N-organohydroxylamines

Alternative Parents

Substituents

N-organohydroxylamine
Organic oxygen compound
Organopnictogen compound
Hydrocarbon derivative
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

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

Property	Value	Source
Water Solubility	899 g/L	ALOGPS
logP	0.34	ALOGPS
logP	0.14	ChemAxon
logS	1	ALOGPS
pKa (Strongest Acidic)	15.58	ChemAxon
pKa (Strongest Basic)	4.14	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	23.47 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	25.96 m³·mol⁻¹	ChemAxon
Polarizability	10.49 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-f9b8dd44e9f6251e1f70	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-7053dd13bf514dc22882	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01ox-9000000000-cb20372416c86ee1132f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-9000000000-4467900c6d507c168c81	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01p9-9000000000-4e8af6f0484b23b44692	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-006x-9000000000-9607bcd294bb39961dec	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
982.0	Log mg/kg	[550:1700]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
3	Irrigation water	Agriculture & land management	Not Available
27	Water Coolers	Appliances, HVAC & refrigerants	Not Available
43	Water heaters	Appliances, HVAC & refrigerants	Not Available
50	Groundwater	Aquatic systems & sediments	Not Available
51	Surface water	Aquatic systems & sediments	Not Available
52	Seawater	Aquatic systems & sediments	Not Available
53	Freshwater	Aquatic systems & sediments	Not Available
70	Stormwater runoff	Automotive & urban infrastructure	Not Available
88	Waterproofing sprays	Building & Construction	Not Available
115	Drinking water	Drinking water & water supply	Not Available
116	Tap water	Drinking water & water supply	Not Available
117	Bottled water	Drinking water & water supply	Not Available
118	Desalinated water	Drinking water & water supply	Not Available
181	Ballast water	Marine, shipping & aquaculture	Not Available
182	Bilge water	Marine, shipping & aquaculture	Not Available
468	Industrial wastewater	Wastewater, sanitation & biosolids	Not Available
470	Wastewater treatment effluent	Wastewater, sanitation & biosolids	Not Available
475	Mine wastewater	Wastewater, sanitation & biosolids	Not Available
477	Wastewater, unspecified	Wastewater, sanitation & biosolids	Not Available
499	Roofs	Building & Construction	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
514	Discharge Lamps	Electrical & Electronic Equipment	Not Available
521	Fixed Capacitors And Their Manufacture	Electrical & Electronic Equipment	Not Available
523	Gas Filled Discharge Tubes With Solid Cathode	Electrical & Electronic Equipment	Not Available
530	Radio Transmission Systems	Electrical & Electronic Equipment	Not Available
544	Fermentation Processes For Beer	Food, food processing & cookware	Not Available
555	Bleaching Agents	Household cleaning & consumer products	Not Available
556	Cigar Cigarettes	Household cleaning & consumer products	Not Available
579	Manufacture Of Iron Or Steel	Industrial manufacturing & chemical processing	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
589	Life Buoys	Marine, shipping & aquaculture	Not Available
605	Pest Repellants	Agriculture & land management	Not Available
606	Plant Growth Regulators	Agriculture & land management	Not Available
609	Aftershave	Personal care & cosmetics	Not Available
610	Aftersun Products	Personal care & cosmetics	Not Available
613	Depilatories	Personal care & cosmetics	Not Available
616	Face Mask Cosmetics	Personal care & cosmetics	Not Available
617	Lip Care Products	Personal care & cosmetics	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
642	Footwear	Textiles, leather & furnishings	Not Available
643	Headwear	Textiles, leather & furnishings	Not Available
644	Hook Or Eye Fasteners	Textiles, leather & furnishings	Not Available
652	Ropes	Textiles, leather & furnishings	Not Available
657	Surface Finishing Of Leather	Textiles, leather & furnishings	Not Available
658	Touch Fasteners	Textiles, leather & furnishings	Not Available
662	Yarns Or Threads	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	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	6253.32
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	5058.02
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	5530.49
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	4848.45
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	5126.76
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	5877.85
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	6924.45
Click to view 3D structure	Carbonic anhydrase 1	Q9V396	Drosophila melanogaster	Predicted (SEA)	0.544945
Click to view 3D structure	Carbonic anhydrase 2, isoform A	Q9VTU8	Drosophila melanogaster	Predicted (SEA)	0.544945
Click to view 3D structure	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	6896.12
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	6720.1
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	7241.46
Click to view 3D structure	D(1A) dopamine receptor	P21728	Humans	Predicted (SEA)	6500.25
Click to view 3D structure	Histone-lysine N-methyltransferase EHMT2	Q96KQ7	Humans	Predicted (SEA)	2471.17
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	6991.48
Click to view 3D structure	Monoglyceride lipase	Q99685	Humans	Predicted (SEA)	3873.93
Click to view 3D structure	Aldehyde dehydrogenase 1A1	P00352	Humans	Predicted (SEA)	1736.66
Click to view 3D structure	Alpha-2B adrenergic receptor	P18089	Humans	Predicted (SEA)	6774.36
Click to view 3D structure	Replicase polyprotein 1ab	P0DTD1	SARS-CoV-2	Predicted (SEA)	5899.57
Click to view 3D structure	D(4) dopamine receptor	P21917	Humans	Predicted (SEA)	7169.37
Click to view 3D structure	Gasdermin-D	P57764	Humans	Predicted (SEA)	0.233548
Click to view 3D structure	Gasdermin-D	Q9D8T2	Mus musculus	Predicted (SEA)	0.233548
Click to view 3D structure	Carbamate kinase	O97438	Giardia intestinalis	Predicted (SEA)	0.155698
Click to view 3D structure	Fructose-1,6-bisphosphatase 1	P09467	Humans	Predicted (SEA)	350.711
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	6801.76