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Acid, base and phase-transfer catalysts

Aptab

Also known as APTAB, 90%, 3-(Anthracen-9-yl)-N,N,N-trimethylpropan-1-aminium bromide

CAS 86727-71-1Formula C20H24BrNMolar mass 358.32 g/mol
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Aptab chemical structure, C20H24BrN, CAS 86727-71-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
86727-71-1
Formula
C20H24BrN
Molar mass
358.32 g/mol
HS code
292390
Category
Acid, base and phase-transfer catalysts

What is Aptab?

Plain description, key identifiers and synonyms

Aptab is a chemical substance with the molecular formula C20H24BrN and a molar mass of 358.32 g/mol. Its CAS registry number is 86727-71-1. The IUPAC name is 3-anthracen-9-ylpropyl(trimethyl)azanium bromide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-anthracen-9-ylpropyl(trimethyl)azanium bromide
CAS number
86727-71-1
Molecular formula
C20H24BrN
InChIKey
QTMSFTSLWQZCOC-UHFFFAOYSA-M
InChI
InChI=1S/C20H24N.BrH/c1-21(2,3)14-8-13-20-18-11-6-4-9-16(18)15-17-10-5-7-12-19(17)20;/h4-7,9-12,15H,8,13-14H2,1-3H3;1H/q+1;/p-1
SMILES (canonical and isomeric)
C[N+](C)(C)CCCC1=C2C=CC=CC2=CC3=CC=CC=C31.[Br-]

Synonyms

  • APTAB, 90%
  • 3-(Anthracen-9-yl)-N,N,N-trimethylpropan-1-aminium 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
358.32 g/molcalc.
Exact mass
357.1092 Dacalc.
LogP (octanol/water)
1.64calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
4calc.
Heavy atoms
22calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.3calc.
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, c1ccc2cc3ccccc3cc2c1

c1ccc2cc3ccccc3cc2c1

3 rings, 14 atoms, the Anthracene ring system.

1,181 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.

Aptab suppliers

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Aptab 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

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

Frequently asked questions

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

What is Aptab?

Aptab is a chemical substance with the molecular formula C20H24BrN and a molar mass of 358.32 g/mol. Its CAS registry number is 86727-71-1. The IUPAC name is 3-anthracen-9-ylpropyl(trimethyl)azanium bromide.

What is the CAS number of Aptab?

The CAS registry number of Aptab is 86727-71-1.

What is the molecular formula and weight of Aptab?

The molecular formula of Aptab is C20H24BrN and its molar mass is 358.32 g/mol.

Is Aptab hazardous?

No GHS hazard classification for Aptab 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 Aptab?

Aptab 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 Aptab?

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What is the price of Aptab?

Suppliers quote Aptab 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 Aptab

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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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