(11-(F-Hexyl)undecyl) dimorpholinophosphoramidate (CED0121781)

Record Information

Version

1.0

Creation Date

2026-04-06 05:28:08 UTC

Update Date

2026-08-22 05:30:45 UTC

SynCED ID

CED0121781

Secondary Accession Numbers

CHEM118111

Identification

Common Name

(11-(F-Hexyl)undecyl) dimorpholinophosphoramidate

Class

Small Molecule

Description

(11-(F-Hexyl)undecyl) dimorpholinophosphoramidate belongs to the organic phosphoramides, a subclass of organic phosphoric acids and derivatives within the organic compounds. With an average molecular weight of 708.54 g/mol, (11-(F-Hexyl)undecyl) dimorpholinophosphoramidate is a heavy molecule. The compound is characterized by the chemical formula C25H38F13N2O4P. This substance is found in or released from 13 recorded sources across several diverse sectors. Within Electrical & Electronic Equipment, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. In the Textiles, leather & furnishings sector, it is linked to carpets, rugs, and synthetic textiles. It is also found in food packaging within the Food, food processing & cookware sector, and in medical devices within the Healthcare, pharmaceuticals & veterinary products sector. Additionally, the compound is utilized as lubricants in both the Energy, oil & gas and Industrial manufacturing & chemical processing sectors, as well as one other sector. Recorded routes of exposure for this compound include inhalation, oral, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₅H₃₈F₁₃N₂O₄P

Average Molecular Mass

708.542 g/mol

Monoisotopic Mass

708.236 g/mol

CAS Registry Number

134051-91-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCOP(=O)(N1CCOCC1)N1CCOCC1

InChI Identifier

InChI=1S/C25H38F13N2O4P/c26-20(27,21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)38)10-8-6-4-2-1-3-5-7-9-15-44-45(41,39-11-16-42-17-12-39)40-13-18-43-19-14-40/h1-19H2

InChI Key

NENILPRVDJSLAG-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
176.0 Log mg/kg [100:310]	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
CEDs000007	Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.	Agriculture & land management	Not Available
CEDs000120	Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.	Electrical & Electronic Equipment	Not Available
CEDs000121	Printed circuit boards?Printed circuit boards (PCBs) are essential components in the manufacturing of electronic devices, serving as the backbone for electrical connections and circuit pathways.	Electrical & Electronic Equipment	Not Available
CEDs000125	Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.	Electrical & Electronic Equipment	Not Available
CEDs000130	Semiconductors?Semiconductors are materials that possess electrical conductivity between that of conductors and insulators, making them essential for various electronic applications, including transistors, diodes, and integrated circuits.	Electrical & Electronic Equipment	Not Available
CEDs000138	Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.	Energy, oil & gas	Not Available
CEDs000147	Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.	Food, food processing & cookware	Not Available
CEDs000174	Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.	Industrial manufacturing & chemical processing	Not Available
CEDs000234	Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000451	Carpets and Rugs?Carpets and rugs are commonly manufactured using synthetic fibers such as nylon, polyester, and polypropylene, which can be derived from petrochemical sources.	Textiles, leather & furnishings	Not Available
CEDs000454	Synthetic textiles?Synthetic textiles are materials derived from man-made fibers, such as polyester, nylon, and acrylic, which are produced through chemical processes involving petrochemicals.	Textiles, leather & furnishings	Not Available
CEDs000490		Personal care & cosmetics	Not Available
CEDs000492	Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.	Electrical & Electronic Equipment	Not Available
CEDs000493	Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.	Electrical & Electronic Equipment	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	Ras-related C3 botulinum toxin substrate 3	P60763	Humans	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.209 Low confidence Statistical Significance 0.0056 Supporting Reference Compounds 1 E-value 43.907
Click to view 3D structure	2-dehydro-3-deoxyphosphooctonate aldolase	Q9JZ55	Neisseria meningitidis serogroup B (strain MC58)	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.193 Low confidence Statistical Significance 0.0013 Supporting Reference Compounds 1 E-value 10.2761
Click to view 3D structure	Fructose-bisphosphate aldolase class II	A0A380PJR2	Yersinia pestis	Predicted (SEA)	Prediction Confidence Score 0.175 Applicability Domain 0.175 Low confidence Statistical Significance 7.20e-04 Supporting Reference Compounds 1 E-value 5.60514
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	Prediction Confidence Score 0.173 Applicability Domain 0.216 Low confidence Statistical Significance 0.9306 Supporting Reference Compounds 497 E-value 7244.8
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	Prediction Confidence Score 0.173 Applicability Domain 0.184 Low confidence Statistical Significance 0.9663 Supporting Reference Compounds 1274 E-value 7522.34
Click to view 3D structure	Histone deacetylase 8	Q9BY41	Humans	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.216 Low confidence Statistical Significance 0.8963 Supporting Reference Compounds 317 E-value 6978.02
Click to view 3D structure	Histone deacetylase 5	Q9UQL6	Humans	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.216 Low confidence Statistical Significance 0.7996 Supporting Reference Compounds 172 E-value 6224.75
Click to view 3D structure	Serine/threonine-protein kinase B-raf	P15056	Humans	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.188 Low confidence Statistical Significance 0.8904 Supporting Reference Compounds 337 E-value 6931.93
Click to view 3D structure	Histone deacetylase 4	P56524	Humans	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.216 Low confidence Statistical Significance 0.8311 Supporting Reference Compounds 185 E-value 6470.05
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	O00329	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.179 Low confidence Statistical Significance 0.9128 Supporting Reference Compounds 459 E-value 7105.92
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	P48736	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.179 Low confidence Statistical Significance 0.9103 Supporting Reference Compounds 450 E-value 7086.69
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	P42336	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.179 Low confidence Statistical Significance 0.9285 Supporting Reference Compounds 536 E-value 7228.53
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform	P42338	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.179 Low confidence Statistical Significance 0.9023 Supporting Reference Compounds 372 E-value 7024.02
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.191 Low confidence Statistical Significance 0.9503 Supporting Reference Compounds 562 E-value 7398.4
Click to view 3D structure	Platelet-derived growth factor receptor beta	P09619	Humans	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.183 Low confidence Statistical Significance 0.9432 Supporting Reference Compounds 597 E-value 7342.89
Click to view 3D structure	Mitogen-activated protein kinase 14	Q16539	Humans	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.194 Low confidence Statistical Significance 0.9627 Supporting Reference Compounds 668 E-value 7494.39
Click to view 3D structure	Leucine-rich repeat serine/threonine-protein kinase 2	Q5S007	Humans	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.183 Low confidence Statistical Significance 0.9269 Supporting Reference Compounds 336 E-value 7216.23
Click to view 3D structure	RAC-alpha serine/threonine-protein kinase	P31749	Humans	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.194 Low confidence Statistical Significance 0.9712 Supporting Reference Compounds 797 E-value 7560.4
Click to view 3D structure	Histone deacetylase 2	Q92769	Humans	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.216 Low confidence Statistical Significance 0.9073 Supporting Reference Compounds 307 E-value 7063.57
Click to view 3D structure	Serine/threonine-protein kinase mTOR	P42345	Humans	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.179 Low confidence Statistical Significance 0.9074 Supporting Reference Compounds 403 E-value 7064.27
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.188 Low confidence Statistical Significance 0.9784 Supporting Reference Compounds 1660 E-value 7616.85
Click to view 3D structure	B-cell lymphoma 3 protein	P20749	Humans	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.169 Low confidence Statistical Significance 0.1743 Supporting Reference Compounds 1 E-value 1357.3
Click to view 3D structure	Histone deacetylase 7	Q8WUI4	Humans	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.216 Low confidence Statistical Significance 0.8012 Supporting Reference Compounds 148 E-value 6237.28
Click to view 3D structure	Discoidin domain-containing receptor 2	Q16832	Humans	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.183 Low confidence Statistical Significance 0.871 Supporting Reference Compounds 181 E-value 6780.82
Click to view 3D structure	Histone deacetylase 3	O15379	Humans	Predicted (SEA)	Prediction Confidence Score 0.168 Applicability Domain 0.216 Low confidence Statistical Significance 0.901 Supporting Reference Compounds 257 E-value 7014.14