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Screening compounds

Tjn-331

Also known as TJN 331, (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-pyridin-3-ylprop-2-enamide, (2E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(pyridin-3-yl)prop-2-enamide

CAS 219964-53-1Formula C19H22N2O3Molar mass 326.40 g/mol
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Tjn-331 chemical structure, C19H22N2O3, CAS 219964-53-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
219964-53-1
Formula
C19H22N2O3
Molar mass
326.40 g/mol
HS code
293339
Category
Screening compounds

What is Tjn-331?

Plain description, key identifiers and synonyms

Tjn-331 is a chemical substance with the molecular formula C19H22N2O3 and a molar mass of 326.40 g/mol. Its CAS registry number is 219964-53-1. The IUPAC name is (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-pyridin-3-ylprop-2-enamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-pyridin-3-ylprop-2-enamide
CAS number
219964-53-1 CAS number cross-checked
Molecular formula
C19H22N2O3
UNII
A44B8ZVG5G
InChIKey
FEIVGIWPNTVAOB-VQHVLOKHSA-N
InChI
InChI=1S/C19H22N2O3/c1-21(19(22)9-7-16-5-4-11-20-14-16)12-10-15-6-8-17(23-2)18(13-15)24-3/h4-9,11,13-14H,10,12H2,1-3H3/b9-7+
Canonical SMILES
COc1ccc(CCN(C)C(=O)C=Cc2cccnc2)cc1OC
Isomeric SMILES
CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)/C=C/C2=CN=CC=C2

Synonyms

  • TJN 331
  • (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-pyridin-3-ylprop-2-enamide
  • (2E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(pyridin-3-yl)prop-2-enamide
  • n-(3,4-dimethoxyphenethyl)-n-methyl-3-(3-pyridyl)-2-propenamide
  • (E)-N-(3,4-dimethoxyphenethyl)-N-methyl-3-(3-pyridyl)-2-propenamide
  • (e)-n-[(3,4-dimethoxyphenethyl)]-n-methyl-3-(3-pyridyl)-2-propenamide
  • (E)-N-(3,4-dimethoxyphenethyl)-N-methyl-3-(3-pyridyl)-2-propenoic acid amide
  • 2-Propenamide, N-(2-(3,4-dimethoxyphenyl)ethyl)-N-methyl-3-(3-pyridinyl)-, (2E)-

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
326.40 g/molcalc.
Exact mass
326.163 Dacalc.
LogP (octanol/water)
2.81calc.
Topological polar surface area
51.66 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
7calc.
Heavy atoms
24calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.26calc.
Formal charge
0calc.
Stereocentres
0calc.
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, O=C(C=Cc1cccnc1)NCCc1ccccc1

O=C(C=Cc1cccnc1)NCCc1ccccc1

2 rings, 19 atoms.

4 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.

Tjn-331 suppliers

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Tjn-331 price

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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 Tjn-331 is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

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

The HS code shown for Tjn-331 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Tjn-331, based on the data on this page

What is Tjn-331?

Tjn-331 is a chemical substance with the molecular formula C19H22N2O3 and a molar mass of 326.40 g/mol. Its CAS registry number is 219964-53-1. The IUPAC name is (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-pyridin-3-ylprop-2-enamide.

What is the CAS number of Tjn-331?

The CAS registry number of Tjn-331 is 219964-53-1.

What is the molecular formula and weight of Tjn-331?

The molecular formula of Tjn-331 is C19H22N2O3 and its molar mass is 326.40 g/mol.

What is Tjn-331 used for?

Known uses and roles of Tjn-331 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Tjn-331 hazardous?

No GHS hazard classification for Tjn-331 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 Tjn-331?

Tjn-331 is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Tjn-331?

Post a free request on CompoundList and suppliers of Tjn-331 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Tjn-331?

Suppliers quote Tjn-331 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 Tjn-331

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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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