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Acid, base and phase-transfer catalysts

Tral

Also known as Hexocyclium metilsulfate, Hexocyclium methylsulfate, Hexocyclium methyl sulfate

CAS 115-63-9Formula C21H36N2O5SMolar mass 428.60 g/molEC 204-097-2
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Tral chemical structure, C21H36N2O5S, CAS 115-63-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
115-63-9
Formula
C21H36N2O5S
Molar mass
428.60 g/mol
EC number
204-097-2
HS code
293359
Category
Acid, base and phase-transfer catalysts

What is Tral?

Plain description, key identifiers and synonyms

Hexocyclium methyl sulfate is a member of phenylethanolamines, an ethanolamine sulfate salt and a piperazinium salt.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol, methyl sulfate
CAS number
115-63-9 CAS number cross-checked
EC number
204-097-2
Molecular formula
C21H36N2O5S
UNII
84OPZ2Q0VB
InChIKey
NSILVESQCSUIAJ-UHFFFAOYSA-M
InChI
InChI=1S/C20H33N2O.CH4O4S/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-5-6(2,3)4/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
SMILES (canonical and isomeric)
C[N+]1(CCN(CC1)CC(C2CCCCC2)(C3=CC=CC=C3)O)C.COS(=O)(=O)[O-]

Synonyms

  • Hexocyclium metilsulfate
  • Hexocyclium methylsulfate
  • Hexocyclium methyl sulfate
  • Hexocyclium methylsulphate
  • Metilsulfato de hexociclo
  • Metilsulfate d'hexocyclium
  • Hexocyclii metilsulfas
  • Hexocyclium metilsulphate
  • hexocyclium (cation)
  • Traline
  • Hexacyclium methyl sulfate
  • Hexocyclium methosulfate
  • 4-(2-cyclohexyl-2-hydroxy-2-phenylethyl)-1,1-dimethylpiperazin-1-ium methyl sulfate
  • 4-(beta-Cyclohexyl-beta-hydroxyphenethyl)-1,1-dimethylpiperazinum methylsulfate
  • Oxoamyl salicylate
  • 1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol, methyl sulfate
  • Hexocyclium (VAN)
  • Hexocyclium metilsulfate (INN)
  • 4-(2-Cyclohexyl-2-hydroxy-2-phenylethyl)-1,1-dimethylpiperazinium
  • Hexocyclium (tral)
  • Hexocycliummetilsulfat
  • Tral (TN)
  • 4-(beta-Cyclohexyl-beta-hydroxyphenethyl)-1,1-dimethylpiperazinium methylsulfate
  • Hexocyclium (methylsulfate)
  • N-(beta-Cyclohexyl-beta-hydroxy-beta-phenylethyl)-N'-methylpiperazine dimethylsulfate
Show all 27 synonyms
  • Piperazinium, 4-(2-cyclohexyl-2-hydroxy-2-phenylethyl)-1,1-dimethyl-, methyl sulfate (salt)
  • Piperazinium, 4-(beta-cyclohexyl-beta-hydroxyphenethyl)-1,1-dimethyl-, methyl sulfate

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
428.60 g/molcalc.
Exact mass
428.2345 Dacalc.
LogP (octanol/water)
1.94calc.
Topological polar surface area
89.9 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
5calc.
Heavy atoms
29calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.71calc.
Formal charge
0calc.
Stereocentres
1calc.
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(C(CN2CCNCC2)C2CCCCC2)cc1

c1ccc(C(CN2CCNCC2)C2CCCCC2)cc1

3 rings, 20 atoms.

9 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.

Tral suppliers

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Tral price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Tral is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Tral?

Hexocyclium methyl sulfate is a member of phenylethanolamines, an ethanolamine sulfate salt and a piperazinium salt.

What is the CAS number of Tral?

The CAS registry number of Tral is 115-63-9.

What is the molecular formula and weight of Tral?

The molecular formula of Tral is C21H36N2O5S and its molar mass is 428.60 g/mol.

Is Tral hazardous?

No GHS hazard classification for Tral 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 Tral?

Tral is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Tral?

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What is the price of Tral?

Suppliers quote Tral 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 Tral

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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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