4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine (CED0070972)

Record Information

Version

1.0

Creation Date

2026-08-19 12:18:12 UTC

Update Date

2026-08-19 12:18:12 UTC

SynCED ID

CED0070972

Secondary Accession Numbers

CHEM185839

Identification

Common Name

4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine

Class

Small Molecule

Description

4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine is an organic compound with the formula C15H23BN2O3 and an average molecular weight of 290.17 g/mol. 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. This substance has been identified in or released from two recorded sources, specifically household cleaning and consumer products, including other smoking requisites and non electric simulated smoking devices.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₅H₂₃BN₂O₃

Average Molecular Mass

290.170 g/mol

Monoisotopic Mass

290.180 g/mol

CAS Registry Number

485799-04-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C15H23BN2O3/c1-14(2)15(3,4)21-16(20-14)12-5-6-13(17-11-12)18-7-9-19-10-8-18/h5-6,11H,7-10H2,1-4H3

InChI Key

ZGDLVKWIZHHWIR-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
762.0 Log mg/kg [430:1400]	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
CEDs000518	Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.	Electrical & Electronic Equipment	PubChem
CEDs000556	Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.	Household cleaning & consumer products	PubChem
CEDs000559	Non Electric Simulated Smoking Devices?Non-electric simulated smoking devices, often designed to mimic the experience of smoking without combustion, can be sources of synthetic chemical contamination due to the materials and chemicals used in their construction and operation.	Household cleaning & consumer products	PubChem
CEDs000560	Other Smoking Requisites?Other smoking requisites, including items such as lighters, matches, and rolling papers, can introduce synthetic chemical contamination through various components and additives.	Household cleaning & consumer products	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
CEDs000580	Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.	Industrial manufacturing & chemical processing	PubChem
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	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

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	Equilibrative nucleoside transporter 1	Q9JIM1	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.318 Applicability Domain 0.318 Statistical Significance 8.00e-05 Supporting Reference Compounds 1 E-value 0.622794
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	P42336	Humans	Predicted (SEA)	Prediction Confidence Score 0.287 Applicability Domain 0.315 Statistical Significance 0.0755 Supporting Reference Compounds 536 E-value 587.917
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.297 Low confidence Statistical Significance 0.2935 Supporting Reference Compounds 1538 E-value 2284.64
Click to view 3D structure	Serine/threonine-protein kinase mTOR	P42345	Humans	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.279 Low confidence Statistical Significance 0.0792 Supporting Reference Compounds 403 E-value 616.722
Click to view 3D structure	Phosphatidylinositol 3-kinase catalytic subunit type 3	Q8NEB9	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.292 Low confidence Statistical Significance 0.0149 Supporting Reference Compounds 95 E-value 115.84
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform	P42338	Humans	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.274 Low confidence Statistical Significance 0.1027 Supporting Reference Compounds 372 E-value 799.667
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.333 Statistical Significance 0.4258 Supporting Reference Compounds 1498 E-value 3314.66
Click to view 3D structure	DNA-dependent protein kinase catalytic subunit	P78527	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.274 Low confidence Statistical Significance 0.0436 Supporting Reference Compounds 219 E-value 339.423
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	A0A0G2K344	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.279 Low confidence Statistical Significance 0.0021 Supporting Reference Compounds 10 E-value 16.6597
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform	Q9Z1L0	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.279 Low confidence Statistical Significance 0.0035 Supporting Reference Compounds 15 E-value 27.0915
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	O00329	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.274 Low confidence Statistical Significance 0.1426 Supporting Reference Compounds 459 E-value 1110.36
Click to view 3D structure	Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta	O00750	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.274 Low confidence Statistical Significance 0.0643 Supporting Reference Compounds 138 E-value 500.493
Click to view 3D structure	Apoptotic protease-activating factor 1	O14727	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.314 Statistical Significance 0.0152 Supporting Reference Compounds 112 E-value 118.487
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	P48736	Humans	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.274 Low confidence Statistical Significance 0.1559 Supporting Reference Compounds 450 E-value 1213.44
Click to view 3D structure	Mast/stem cell growth factor receptor Kit	P10721	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.273 Low confidence Statistical Significance 0.3291 Supporting Reference Compounds 905 E-value 2561.71
Click to view 3D structure	Serine/threonine-protein kinase ATR	Q13535	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.265 Low confidence Statistical Significance 0.0258 Supporting Reference Compounds 65 E-value 200.773
Click to view 3D structure	Cyclin-dependent kinase 2	P24941	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.277 Low confidence Statistical Significance 0.3524 Supporting Reference Compounds 1029 E-value 2743.1
Click to view 3D structure	Cyclin-dependent kinase 1	P06493	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.277 Low confidence Statistical Significance 0.2888 Supporting Reference Compounds 715 E-value 2248.36
Click to view 3D structure	Tyrosine-protein kinase JAK3	P52333	Humans	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.266 Low confidence Statistical Significance 0.3878 Supporting Reference Compounds 961 E-value 3019.3
Click to view 3D structure	Aurora kinase B	Q96GD4	Humans	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.266 Low confidence Statistical Significance 0.4117 Supporting Reference Compounds 1017 E-value 3205.21
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.266 Low confidence Statistical Significance 0.4525 Supporting Reference Compounds 1274 E-value 3522.91
Click to view 3D structure	Non-receptor tyrosine-protein kinase TYK2	P29597	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.266 Low confidence Statistical Significance 0.3389 Supporting Reference Compounds 657 E-value 2638.54
Click to view 3D structure	Tyrosine-protein kinase JAK2	O60674	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.266 Low confidence Statistical Significance 0.4588 Supporting Reference Compounds 1022 E-value 3571.57
Click to view 3D structure	Fibroblast growth factor receptor 1	P11362	Humans	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.262 Low confidence Statistical Significance 0.4481 Supporting Reference Compounds 1010 E-value 3488.5
Click to view 3D structure	Tyrosine-protein kinase Lck	P06239	Humans	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.262 Low confidence Statistical Significance 0.5001 Supporting Reference Compounds 1130 E-value 3892.93