4-tert-butylmorpholine (CED0213152)

Record Information

Version

1.0

Creation Date

2026-08-24 17:31:47 UTC

Update Date

2026-08-24 17:31:47 UTC

SynCED ID

CED0213152

Secondary Accession Numbers

CHEM252599

Identification

Common Name

4-tert-butylmorpholine

Class

Small Molecule

Description

4-tert-butylmorpholine belongs to the morpholines, a subclass of oxazinanes within the organic compounds. It is classified as an organoheterocyclic compound with the formula C8H17NO. The compound has an average molecular weight of 143.23 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₁₇NO

Average Molecular Mass

143.230 g/mol

Monoisotopic Mass

143.131 g/mol

CAS Registry Number

33719-90-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C8H17NO/c1-8(2,3)9-4-6-10-7-5-9/h4-7H2,1-3H3

InChI Key

OILJIEKQCVHNMM-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
1078.0 Log mg/kg [610:1900]	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	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	Not Available
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	Not Available
CEDs000561	Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.	Household cleaning & consumer products	Not Available
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	Not Available
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	Not Available
CEDs000602	Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.	Agriculture & land management	Not Available
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	Agriculture & land management	Not Available
CEDs000610	Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.	Personal care & cosmetics	Not Available
CEDs000642	Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.	Textiles, leather & furnishings	Not Available
CEDs000678	Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.	Agriculture & land management	Not Available
CEDs000679	Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.	Agriculture & land management	Not Available
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	Not Available
CEDs000734	Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.	Building & Construction	Not Available
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	Not Available
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	Not Available

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	Acetyl-CoA carboxylase	Q3V4E6	Zea mays	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.225 Low confidence Statistical Significance 0.0014 Supporting Reference Compounds 1 E-value 10.7432
Click to view 3D structure	Tumor necrosis factor receptor superfamily member 16	Q9Z0W1	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.209 Low confidence Statistical Significance 0.0071 Supporting Reference Compounds 1 E-value 55.6622
Click to view 3D structure	DNA-dependent protein kinase catalytic subunit	P78527	Humans	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.231 Low confidence Statistical Significance 0.3833 Supporting Reference Compounds 219 E-value 2983.96
Click to view 3D structure	Dual specificity protein phosphatase	Q7T2L8	Danio rerio	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 0.0081 Supporting Reference Compounds 1 E-value 63.3693
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	P42336	Humans	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.208 Low confidence Statistical Significance 0.7199 Supporting Reference Compounds 536 E-value 5604.68
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform	P42338	Humans	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.208 Low confidence Statistical Significance 0.641 Supporting Reference Compounds 372 E-value 4990.06
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	O00329	Humans	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.208 Low confidence Statistical Significance 0.7193 Supporting Reference Compounds 459 E-value 5600.08
Click to view 3D structure	DNA-dependent protein kinase catalytic subunit	P97313	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.231 Low confidence Statistical Significance 0.0226 Supporting Reference Compounds 2 E-value 176.173
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.191 Applicability Domain 0.224 Low confidence Statistical Significance 0.8269 Supporting Reference Compounds 562 E-value 6437.27
Click to view 3D structure	Serine/threonine-protein kinase mTOR	P42345	Humans	Predicted (SEA)	Prediction Confidence Score 0.191 Applicability Domain 0.208 Low confidence Statistical Significance 0.7355 Supporting Reference Compounds 403 E-value 5725.5
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	Prediction Confidence Score 0.187 Applicability Domain 0.22 Low confidence Statistical Significance 0.7393 Supporting Reference Compounds 200 E-value 5755.47
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.191 Low confidence Statistical Significance 0.9459 Supporting Reference Compounds 1157 E-value 7364.07
Click to view 3D structure	Apoptotic protease-activating factor 1	O14727	Humans	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.231 Low confidence Statistical Significance 0.4167 Supporting Reference Compounds 112 E-value 3243.74
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	P48736	Humans	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.208 Low confidence Statistical Significance 0.8128 Supporting Reference Compounds 450 E-value 6327.74
Click to view 3D structure	Protein kinase C alpha type	P17252	Humans	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.191 Low confidence Statistical Significance 0.7369 Supporting Reference Compounds 258 E-value 5736.71
Click to view 3D structure	Protein kinase C beta type	P05771	Humans	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.191 Low confidence Statistical Significance 0.6588 Supporting Reference Compounds 175 E-value 5129.02
Click to view 3D structure	Replicase polyprotein 1ab	P0DTD1	SARS-CoV-2	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.296 Low confidence Statistical Significance 0.6373 Supporting Reference Compounds 215 E-value 4961.49
Click to view 3D structure	Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta	O00750	Humans	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.191 Low confidence Statistical Significance 0.6645 Supporting Reference Compounds 138 E-value 5173.0
Click to view 3D structure	Protein kinase C gamma type	P05129	Humans	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.188 Low confidence Statistical Significance 0.9018 Supporting Reference Compounds 552 E-value 7020.52
Click to view 3D structure	Neuropeptide S receptor	P0C0L6	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.182 Low confidence Statistical Significance 0.0714 Supporting Reference Compounds 1 E-value 556.077
Click to view 3D structure	Protein kinase C epsilon type	Q02156	Humans	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.191 Low confidence Statistical Significance 0.7627 Supporting Reference Compounds 189 E-value 5937.72
Click to view 3D structure	[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial	Q15118	Humans	Predicted (SEA)	Prediction Confidence Score 0.178 Applicability Domain 0.296 Low confidence Statistical Significance 0.6767 Supporting Reference Compounds 100 E-value 5268.06
Click to view 3D structure	Lysosomal acid lipase/cholesteryl ester hydrolase	P38571	Humans	Predicted (SEA)	Prediction Confidence Score 0.178 Applicability Domain 0.178 Low confidence Statistical Significance 0.0132 Supporting Reference Compounds 1 E-value 103.15
Click to view 3D structure	Plasma membrane ATPase 1	P05030	Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)	Predicted (SEA)	Prediction Confidence Score 0.178 Applicability Domain 0.178 Low confidence Statistical Significance 0.036 Supporting Reference Compounds 1 E-value 280.335
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.196 Low confidence Statistical Significance 0.4437 Supporting Reference Compounds 83 E-value 3454.56