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Screening compounds

Trimethisoquin

Also known as Ethanaminium, 2-((3-butyl-1-isoquinolinyl)oxy)-N,N,N-trimethyl-, chloride, 2-(3-butylisoquinolin-1-yl)oxyethyl-trimethylazanium, chloride, 2-[(3-Butylisoquinolin-1-yl)oxy]-N,N,N-trimethylethan-1-aminium chloride

CAS 69311-91-7Formula C18H27ClN2OMolar mass 322.88 g/mol
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Trimethisoquin chemical structure, C18H27ClN2O, CAS 69311-91-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
69311-91-7
Formula
C18H27ClN2O
Molar mass
322.88 g/mol
HS code
293349
Category
Screening compounds

What is Trimethisoquin?

Plain description, key identifiers and synonyms

Trimethisoquin is a chemical substance with the molecular formula C18H27ClN2O and a molar mass of 322.88 g/mol. Its CAS registry number is 69311-91-7. The IUPAC name is 2-(3-butylisoquinolin-1-yl)oxyethyl-trimethylazanium chloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-(3-butylisoquinolin-1-yl)oxyethyl-trimethylazanium chloride
CAS number
69311-91-7 CAS number cross-checked
Molecular formula
C18H27ClN2O
InChIKey
RUFUSRRSIOMUKS-UHFFFAOYSA-M
InChI
InChI=1S/C18H27N2O.ClH/c1-5-6-10-16-14-15-9-7-8-11-17(15)18(19-16)21-13-12-20(2,3)4;/h7-9,11,14H,5-6,10,12-13H2,1-4H3;1H/q+1;/p-1
SMILES (canonical and isomeric)
CCCCC1=CC2=CC=CC=C2C(=N1)OCC[N+](C)(C)C.[Cl-]

Synonyms

  • Ethanaminium, 2-((3-butyl-1-isoquinolinyl)oxy)-N,N,N-trimethyl-, chloride
  • 2-(3-butylisoquinolin-1-yl)oxyethyl-trimethylazanium, chloride
  • 2-[(3-Butylisoquinolin-1-yl)oxy]-N,N,N-trimethylethan-1-aminium chloride

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
322.88 g/molcalc.
Exact mass
322.1812 Dacalc.
LogP (octanol/water)
0.67calc.
Topological polar surface area
22.12 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
7calc.
Heavy atoms
22calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.5calc.
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, c1ccc2cnccc2c1

c1ccc2cnccc2c1

2 rings, 10 atoms, the Isoquinoline ring system.

5,395 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.

Trimethisoquin suppliers

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Trimethisoquin 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 Trimethisoquin is traded under.

HS 2933.49Indicative HS code

Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…

World exports in 2024
$939M
−14.6% vs 2023, imports $1.48B
2019 to 2024
Top exporters
  1. China30.1%
  2. India * partner reported16.7%
  3. Switzerland * partner reported14.1%
Top importers
  1. United Kingdom19.2%
  2. Germany16.0%
  3. Romania8.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Trimethisoquin?

Trimethisoquin is a chemical substance with the molecular formula C18H27ClN2O and a molar mass of 322.88 g/mol. Its CAS registry number is 69311-91-7. The IUPAC name is 2-(3-butylisoquinolin-1-yl)oxyethyl-trimethylazanium chloride.

What is the CAS number of Trimethisoquin?

The CAS registry number of Trimethisoquin is 69311-91-7.

What is the molecular formula and weight of Trimethisoquin?

The molecular formula of Trimethisoquin is C18H27ClN2O and its molar mass is 322.88 g/mol.

What is Trimethisoquin used for?

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

Is Trimethisoquin hazardous?

No GHS hazard classification for Trimethisoquin 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 Trimethisoquin?

Trimethisoquin is usually classified under HS code 293349 (Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Trimethisoquin?

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

What is the price of Trimethisoquin?

Suppliers quote Trimethisoquin 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 Trimethisoquin

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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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