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Screening compounds

Penoctonium

Also known as Penoctonium ion, Penoctonium cation, Diethyl(2-hydroxyethyl)octyl ammonium dicyclopentylacetate

CAS 17088-74-3Formula C26H50NO2+Molar mass 408.69 g/mol
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Penoctonium chemical structure, C26H50NO2+, CAS 17088-74-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
17088-74-3
Formula
C26H50NO2+
Molar mass
408.69 g/mol
HS code
292390
Category
Screening compounds

What is Penoctonium?

Plain description, key identifiers and synonyms

Penoctonium is a chemical substance with the molecular formula C26H50NO2+ and a molar mass of 408.69 g/mol. Its CAS registry number is 17088-74-3. The IUPAC name is 2-(2,2-dicyclopentylacetyl)oxyethyl-diethyl-octylazanium.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-(2,2-dicyclopentylacetyl)oxyethyl-diethyl-octylazanium
CAS number
17088-74-3 CAS number cross-checked
Molecular formula
C26H50NO2+
UNII
5VT390WD2G
InChIKey
JQVBGTKMTRKHML-UHFFFAOYSA-N
InChI
InChI=1S/C26H50NO2/c1-4-7-8-9-10-15-20-27(5-2,6-3)21-22-29-26(28)25(23-16-11-12-17-23)24-18-13-14-19-24/h23-25H,4-22H2,1-3H3/q+1
SMILES (canonical and isomeric)
CCCCCCCC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C2CCCC2

Synonyms

  • Penoctonium ion
  • Penoctonium cation
  • Diethyl(2-hydroxyethyl)octyl ammonium dicyclopentylacetate
  • 2-(2,2-dicyclopentylacetyl)oxyethyl-diethyl-octylazanium
  • N-{2-[(Dicyclopentylacetyl)oxy]ethyl}-N,N-diethyloctan-1-aminium

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
408.69 g/molcalc.
Exact mass
408.3836 Dacalc.
LogP (octanol/water)
6.74calc.
Topological polar surface area
26.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
15calc.
Heavy atoms
29calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.96calc.
Formal charge
1calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1CCC(CC2CCCC2)C1

C1CCC(CC2CCCC2)C1

2 rings, 11 atoms, the Dicyclopentylmethane ring system.

38 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Penoctonium suppliers

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Penoctonium price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Penoctonium is traded under.

HS 2923.90Indicative HS code

Quaternary ammonium salts and hydroxides whether or not chemically defined not elsewhere classified…

World exports in 2024
$1.07B
+14.4% vs 2023, imports $1.16B
2019 to 2024
Top exporters
  1. China36.7%
  2. United States14.2%
  3. Netherlands9.4%
Top importers
  1. South Korea10.7%
  2. Germany10.1%
  3. United States9.9%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Penoctonium is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Penoctonium, based on the data on this page

What is Penoctonium?

Penoctonium is a chemical substance with the molecular formula C26H50NO2+ and a molar mass of 408.69 g/mol. Its CAS registry number is 17088-74-3. The IUPAC name is 2-(2,2-dicyclopentylacetyl)oxyethyl-diethyl-octylazanium.

What is the CAS number of Penoctonium?

The CAS registry number of Penoctonium is 17088-74-3.

What is the molecular formula and weight of Penoctonium?

The molecular formula of Penoctonium is C26H50NO2+ and its molar mass is 408.69 g/mol.

What is Penoctonium used for?

Known uses and roles of Penoctonium include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Penoctonium hazardous?

No GHS hazard classification for Penoctonium is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Penoctonium?

Penoctonium is usually classified under HS code 292390 (Quaternary ammonium salts and hydroxides, lecithins and other phosphoaminolipids…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Penoctonium?

Post a free request on CompoundList and suppliers of Penoctonium will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Penoctonium?

Suppliers quote Penoctonium on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Penoctonium

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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