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Aromatic building blocks

Valethamate bromide

Also known as Epidosin, Resitan, 2-Diethylaminoethyl 2-phenyl-3-methylvalerate methyl bromide

CAS 90-22-2Formula C19H32BrNO2Molar mass 386.37 g/molEC 201-977-8
GHS signal word: Warning. Pictograms: Harmful or irritant
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Valethamate bromide chemical structure, C19H32BrNO2, CAS 90-22-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
90-22-2
Formula
C19H32BrNO2
Molar mass
386.37 g/mol
EC number
201-977-8
HS code
292390
Category
Aromatic building blocks

What is Valethamate bromide?

Plain description, key identifiers and synonyms

Valethamate bromide is an alkylbenzene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
diethyl-methyl-[2-(3-methyl-2-phenylpentanoyl)oxyethyl]azanium bromide
CAS number
90-22-2 CAS number cross-checked
EC number
201-977-8
Molecular formula
C19H32BrNO2
UNII
6XFR940M2A
MDL number
MFCD00031617
InChIKey
CEJGGHKJHDHLAZ-UHFFFAOYSA-M
InChI
InChI=1S/C19H32NO2.BrH/c1-6-16(4)18(17-12-10-9-11-13-17)19(21)22-15-14-20(5,7-2)8-3;/h9-13,16,18H,6-8,14-15H2,1-5H3;1H/q+1;/p-1
SMILES (canonical and isomeric)
CCC(C)C(C1=CC=CC=C1)C(=O)OCC[N+](C)(CC)CC.[Br-]

Synonyms

  • Epidosin
  • Resitan
  • 2-Diethylaminoethyl 2-phenyl-3-methylvalerate methyl bromide
  • 3-Methyl-2-phenylvaleric acid 2-diethylaminoethyl ester methyl bromide
  • Diethyl(2-hydroxyethyl)methylammonium 3-methyl-2-phenylvalerate bromide
  • Ediposin
  • Epidozin
  • Murel
  • Valethamate (bromide)
  • N,N-Diethyl-N-methyl-2-((3-methyl-2-phenylpentanoyl)oxy)ethanaminium bromide
  • diethyl-methyl-[2-(3-methyl-2-phenylpentanoyl)oxyethyl]azanium, bromide
  • N,N-Diethyl-N-methyl-2-[(3-methyl-1-oxo-2-phenylpentyl)oxy]ethanaminium bromide
  • Diethylmethyl(2-3-methyl-2-phenylvaleryloxy)-ethyl)ammonium bromide
  • Valethamate bromide (JAN)
  • N,N-Diethyl-N-methyl-2-(3-methyl-2-phenylvaleryloxy)ethylammonium bromide
  • Ethanaminium, N,N-diethyl-N-methyl-2-[(3-methyl-1-oxo-2-phenylpentyl)oxy]-, bromide (1:1)
  • N,N-Diethyl-N-methyl-2-((3-methyl-2-phenylpentanoyl)oxy)ethan-1-aminium bromide
  • N,N-diethyl-N-methyl-2-[(3-methyl-2-phenylpentanoyl)oxy]ethanaminium bromide
  • ValethamateBromide
  • C19H32BrNO2
  • Diethyl(methyl)(2-(3-methyl-2-phenylvaleryloxy)ethyl)ammonium bromide
  • N,N-Diethyl-N-methyl-2-((3-methyl-1-oxo-2-phenylpentyl)oxy)ethanaminium bromide
  • N,N-Diethyl-N-methyl-2-[(3-methyl-2-phenylpentanoyl)oxy]ethan-1-aminium bromide
  • Shinmetane (TN)
  • Ethanaminium, N,N-diethyl-N-methyl-2-((3-methyl-1-oxo-2-phenylpentyl)oxy)-, bromide (1:1)
Show all 30 synonyms
  • 2-Diethylaminoethyl 3-methyl-2-phenylvalerate methylbromide
  • Diethyl(2-hydroxyethyl)methyl-ammonium bromide 3-methyl-2-phenylvalerate
  • Phenylmethylvaleriansaeure-beta-diaethylaminoaethylester-brommethylat
  • 3-Methyl-2-phenylvaleric acid diethyl(2-hydroxyethyl)methylammonium bromide ester
  • Valeric acid, 3-methyl-2-phenyl-, ester with diethyl(2-hydroxyethyl)methylammonium 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
386.37 g/molcalc.
Exact mass
385.1616 Dacalc.
LogP (octanol/water)
0.85calc.
Topological polar surface area
26.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
9calc.
Heavy atoms
23calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.63calc.
Formal charge
0calc.
Stereocentres
2calc.
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, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302 + H312 + H332Harmful if swallowed. Harmful in contact with skin. Harmful if inhaled.
  • H302Harmful if swallowed.
  • H312Harmful in contact with skin.
  • H332Harmful if inhaled.
Precautionary statements (13)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P317Get medical help.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Valethamate bromide suppliers

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

Frequently asked questions

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

What is Valethamate bromide?

Valethamate bromide is an alkylbenzene.

What is the CAS number of Valethamate bromide?

The CAS registry number of Valethamate bromide is 90-22-2.

What is the molecular formula and weight of Valethamate bromide?

The molecular formula of Valethamate bromide is C19H32BrNO2 and its molar mass is 386.37 g/mol.

What is Valethamate bromide used for?

Known uses and roles of Valethamate bromide include building blocks in research and laboratory.

Is Valethamate bromide hazardous?

Valethamate bromide carries the GHS signal word "Warning". Main hazards: harmful if swallowed. harmful in contact with skin. harmful if inhaled, harmful if swallowed, harmful in contact with skin. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Valethamate bromide?

Valethamate 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 Valethamate bromide?

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What is the price of Valethamate bromide?

Suppliers quote Valethamate 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 Valethamate 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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