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Screening compounds

Diponium bromide

Also known as Dipenine Bromide, Unospaston, Spaston

CAS 2001-81-2Formula C20H38BrNO2Molar mass 404.43 g/molEC 217-891-9
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Diponium bromide chemical structure, C20H38BrNO2, CAS 2001-81-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2001-81-2
Formula
C20H38BrNO2
Molar mass
404.43 g/mol
EC number
217-891-9
HS code
292390
Category
Screening compounds

What is Diponium bromide?

Plain description, key identifiers and synonyms

Diponium bromide is a quaternary ammonium salt.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-(2,2-dicyclopentylacetyl)oxyethyl-triethylazanium bromide
CAS number
2001-81-2 CAS number cross-checked
EC number
217-891-9
Molecular formula
C20H38BrNO2
UNII
977A8K11XO
InChIKey
ADZXDFALMZGPTN-UHFFFAOYSA-M
InChI
InChI=1S/C20H38NO2.BrH/c1-4-21(5-2,6-3)15-16-23-20(22)19(17-11-7-8-12-17)18-13-9-10-14-18;/h17-19H,4-16H2,1-3H3;1H/q+1;/p-1
SMILES (canonical and isomeric)
CC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C2CCCC2.[Br-]

Synonyms

  • Dipenine Bromide
  • Unospaston
  • Spaston
  • Bromuro de diponio
  • Bromure de diponium
  • Diponii bromidum
  • HL 267
  • 2,2-Dicyclopentylacetic acid 2'-diethylaminoethyl ester ethobromide
  • diponio bromuro
  • triethyl(2-hydroxyethyl)ammonium bromide dicyclopentyl acetate
  • 2-(2,2-dicyclopentylacetyl)oxyethyl-triethylazanium, bromide
  • Triethyl(2-hydroxyethyl)ammonium bromide dicyclopentylacetate
  • Dipeninbromid
  • Sa 267
  • Diponiumbromid
  • 2-((Dicyclopentylacetoxy)ethyl)triethylammonium bromide
  • Diethylaminoethyl alpha,alpha-dicyclopentylacetate ethobromide
  • (Diethylamino)ethyl alpha,alpha-dicyclopentylacetate ethobromide
  • Dicyclopentylacetic acid beta-diethylaminoethyl ester ethobromide
  • Triethyl(2-hydroxyethyl)-ammonium bromide, dicyclopentylacetate
  • Acetic acid, dicyclopentyl-, diethylaminoethyl ester, ethylbromide
  • Ammonium, triethyl(2-hydroxyethyl)-, bromide, dicyclopentylacetate
  • beta-(Diethylamino)ethyl alpha,alpha-dicyclopentylacetate ethobromide
  • Aethobromid des alpha,alpha-dicyclopentylessigsaeure-beta'-diaethylaminoaethylester
  • Diponium bromide (JAN/INN)
Show all 29 synonyms
  • 2-(2,2-dicyclopentylacetyl)oxyethyl-triethylazanium bromide
  • 2-((Dicyclopentylacetyl)oxy)-N,N,N-triethyl-ethanaminium bromide
  • Ammonium, (2-hydroxyethyl)triethyl-, bromide, dicyclopentylacetate
  • Ethanaminium, 2-((dicyclopentylacetyl)oxy)-N,N,N-triethyl-, bromide

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
404.43 g/molcalc.
Exact mass
403.2086 Dacalc.
LogP (octanol/water)
1.41calc.
Topological polar surface area
26.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
9calc.
Heavy atoms
24calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.95calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
2calc.
Lipinski rule of five
Passes (0 violations)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.

Diponium bromide suppliers

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Diponium bromide 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 Diponium bromide 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 Diponium bromide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Diponium bromide, based on the data on this page

What is Diponium bromide?

Diponium bromide is a quaternary ammonium salt.

What is the CAS number of Diponium bromide?

The CAS registry number of Diponium bromide is 2001-81-2.

What is the molecular formula and weight of Diponium bromide?

The molecular formula of Diponium bromide is C20H38BrNO2 and its molar mass is 404.43 g/mol.

What is Diponium bromide used for?

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

Is Diponium bromide hazardous?

No GHS hazard classification for Diponium bromide 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 Diponium bromide?

Diponium bromide 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 Diponium bromide?

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What is the price of Diponium bromide?

Suppliers quote Diponium bromide 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 Diponium bromide

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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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