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Acid, base and phase-transfer catalysts

Hexocyclium

Also known as Hexocyclium ion, Hexocyclium cation, hexociclium

CAS 6004-98-4Formula C20H33N2O+Molar mass 317.50 g/mol
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Hexocyclium chemical structure, C20H33N2O+, CAS 6004-98-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
6004-98-4
Formula
C20H33N2O+
Molar mass
317.50 g/mol
HS code
293359
Category
Acid, base and phase-transfer catalysts

What is Hexocyclium?

Plain description, key identifiers and synonyms

Hexocyclium is a chemical substance with the molecular formula C20H33N2O+ and a molar mass of 317.50 g/mol. Its CAS registry number is 6004-98-4. The IUPAC name is 1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol
CAS number
6004-98-4 CAS number cross-checked
Molecular formula
C20H33N2O+
UNII
LL3147PI1T
InChIKey
ZRYHPQCHHOKSMD-UHFFFAOYSA-N
InChI
InChI=1S/C20H33N2O/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/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1
SMILES (canonical and isomeric)
C[N+]1(CCN(CC1)CC(C2CCCCC2)(C3=CC=CC=C3)O)C

Synonyms

  • Hexocyclium ion
  • Hexocyclium cation
  • hexociclium
  • 1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol
  • 4-(2-Cyclohexyl-2-hydroxy-2-phenethyl)-1,1-dimethylpiperazinium
  • 1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenyl-ethanol
  • Hexocyclum
  • 4-(2-cyclohexyl-2-hydroxy-2-phenylethyl)-1,1-dimethylpiperazin-1-ium
  • Piperazinium, 4-(2-cyclohexyl-2-hydroxy-2-phenylethyl)-1,1-dimethyl-
  • 4-(beta-cyclohexyl-beta-hydroxyphenethyl)-1,1-dimethylpiperazinum
  • Piperazinium, 4-(beta-cyclohexyl-beta-hydroxyphenethyl)-1,1-dimethyl-, 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
317.50 g/molcalc.
Exact mass
317.2587 Dacalc.
LogP (octanol/water)
2.85calc.
Topological polar surface area
23.47 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
4calc.
Heavy atoms
23calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.7calc.
Formal charge
1calc.
Stereocentres
1calc.
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.

Hexocyclium suppliers

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Hexocyclium 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

Use classes: Pharmaceuticals.

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

Frequently asked questions

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

What is Hexocyclium?

Hexocyclium is a chemical substance with the molecular formula C20H33N2O+ and a molar mass of 317.50 g/mol. Its CAS registry number is 6004-98-4. The IUPAC name is 1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol.

What is the CAS number of Hexocyclium?

The CAS registry number of Hexocyclium is 6004-98-4.

What is the molecular formula and weight of Hexocyclium?

The molecular formula of Hexocyclium is C20H33N2O+ and its molar mass is 317.50 g/mol.

What is Hexocyclium used for?

Use classes: Pharmaceuticals.

Is Hexocyclium hazardous?

No GHS hazard classification for Hexocyclium 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 Hexocyclium?

Hexocyclium 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 Hexocyclium?

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

What is the price of Hexocyclium?

Suppliers quote Hexocyclium 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 Hexocyclium

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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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