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Screening compounds

WP 4101

Also known as 1,4-Benzodioxin-2-methanamine, N-(2-(2,6-dimethoxyphenoxy)ethyl)-, 2-[N-(2,6-dimethoxyphenoxyethyl)aminomethyl]-1,4-benzodioxin, N-[(1,4-Benzodioxin-2-yl)methyl]-2-(2,6-dimethoxyphenoxy)ethan-1-amine

CAS 91889-47-3Formula C19H21NO5Molar mass 343.38 g/mol
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WP 4101 chemical structure, C19H21NO5, CAS 91889-47-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
91889-47-3
Formula
C19H21NO5
Molar mass
343.38 g/mol
HS code
293299
Category
Screening compounds

What is WP 4101?

Plain description, key identifiers and synonyms

WP 4101 is a chemical substance with the molecular formula C19H21NO5 and a molar mass of 343.38 g/mol. Its CAS registry number is 91889-47-3. The IUPAC name is N-(1,4-benzodioxin-3-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-(1,4-benzodioxin-3-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine
CAS number
91889-47-3 CAS number cross-checked
Molecular formula
C19H21NO5
InChIKey
PYGPYGBRCVHXJN-UHFFFAOYSA-N
InChI
InChI=1S/C19H21NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,13,20H,10-12H2,1-2H3
SMILES (canonical and isomeric)
COC1=C(C(=CC=C1)OC)OCCNCC2=COC3=CC=CC=C3O2

Synonyms

  • 1,4-Benzodioxin-2-methanamine, N-(2-(2,6-dimethoxyphenoxy)ethyl)-
  • 2-[N-(2,6-dimethoxyphenoxyethyl)aminomethyl]-1,4-benzodioxin
  • N-[(1,4-Benzodioxin-2-yl)methyl]-2-(2,6-dimethoxyphenoxy)ethan-1-amine

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
343.38 g/molcalc.
Exact mass
343.142 Dacalc.
LogP (octanol/water)
2.99calc.
Topological polar surface area
58.18 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
8calc.
Heavy atoms
25calc.
Rings
3calc.
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, C1=C(CNCCOc2ccccc2)Oc2ccccc2O1

C1=C(CNCCOc2ccccc2)Oc2ccccc2O1

3 rings, 21 atoms.

No other chemical in our database has 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.

WP 4101 suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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WP 4101 price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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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 WP 4101 is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

The HS code shown for WP 4101 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about WP 4101, based on the data on this page

What is WP 4101?

WP 4101 is a chemical substance with the molecular formula C19H21NO5 and a molar mass of 343.38 g/mol. Its CAS registry number is 91889-47-3. The IUPAC name is N-(1,4-benzodioxin-3-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine.

What is the CAS number of WP 4101?

The CAS registry number of WP 4101 is 91889-47-3.

What is the molecular formula and weight of WP 4101?

The molecular formula of WP 4101 is C19H21NO5 and its molar mass is 343.38 g/mol.

What is WP 4101 used for?

Known uses and roles of WP 4101 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is WP 4101 hazardous?

No GHS hazard classification for WP 4101 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 WP 4101?

WP 4101 is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy WP 4101?

Post a free request on CompoundList and suppliers of WP 4101 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of WP 4101?

Suppliers quote WP 4101 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 WP 4101

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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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