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Screening compounds

WB 4101

Also known as (2-(2',6'-Dimethoxy)phenoxyethylamino)methylbenzo-1,4-dioxane, (2-(2',6'-Dimethoxy)phenoxyethylamino)methylbenzodioxan, N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine

CAS 613-67-2Formula C19H23NO5Molar mass 345.40 g/mol
2 suppliers listed
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WB 4101 chemical structure, C19H23NO5, CAS 613-67-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
613-67-2
Formula
C19H23NO5
Molar mass
345.40 g/mol
HS code
293299
Category
Screening compounds

What is WB 4101?

Plain description, key identifiers and synonyms

N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine is a benzodioxine that is 2,3-dihydro-1,4-benzodioxine bearing a [(2',6'-dimethoxyphenoxy)ethylamino]methyl group at position 2. An alpha1A-adrenergic selective antagonist. It has a role as an alpha-adrenergic antagonist. It is an aromatic ether, a secondary amino compound and a benzodioxine. It is a conjugate base of a N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanaminium(1+).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine
CAS number
613-67-2 CAS number cross-checked
Molecular formula
C19H23NO5
UNII
E9H51OIT2B
InChIKey
GYSZUJHYXCZAKI-UHFFFAOYSA-N
InChI
InChI=1S/C19H23NO5/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/h3-9,14,20H,10-13H2,1-2H3
SMILES (canonical and isomeric)
COC1=C(C(=CC=C1)OC)OCCNCC2COC3=CC=CC=C3O2

Synonyms

  • (2-(2',6'-Dimethoxy)phenoxyethylamino)methylbenzo-1,4-dioxane
  • (2-(2',6'-Dimethoxy)phenoxyethylamino)methylbenzodioxan
  • N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine
  • N-(2-(2,6-dimethoxyphenoxy)ethyl)-2,3-dihydro-1,4-benzodioxin-2-methanamine, hydrochloride
  • N-(2-(2,6-Dimethoxyphenoxy)ethyl)-2,3-dihydro-1,4-benzodioxin-2-methanamine
  • WB-4101 HCL
  • 1,4-Benzodioxin-2-methanamine, N-(2-(2,6-dimethoxyphenoxy)ethyl)-2,3-dihydro-
  • N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine
  • N-((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-2-(2,6-dimethoxyphenoxy)ethan-1-amine
  • Sdccgsbi-0050323.p002
  • WB-4101, (+/-)-
  • 2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[2-(2,6-dimethoxyphenoxy)ethyl]amine, hydrochloride
  • N-[(2,3-Dihydro-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
345.40 g/molcalc.
Exact mass
345.1576 Dacalc.
LogP (octanol/water)
2.51calc.
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
0.37calc.
Formal charge
0calc.
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(OCCNCC2COc3ccccc3O2)cc1

c1ccc(OCCNCC2COc3ccccc3O2)cc1

3 rings, 21 atoms, the 2,3-Dihydro-N-(2-phenoxyethyl)-1,4-benzodioxin-2-methanamine ring system.

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.

WB 4101 suppliers

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

All 2 suppliers
  • EvitaChem
    China, BeijingUnclaimed profile
    WB 4101Grade, purity and minimum order on request
    Price on request
    View
  • Excenen Pharmatech Co., Ltd.
    China, GuangzhouUnclaimed profile
    WB 4101Grade, purity and minimum order on request
    Price on request
    View

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

2 suppliers in 1 country

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WB 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

Pharmacological actions

  • Adrenergic alpha-Antagonists

Roles

  • adrenergic agent
  • adrenergic antagonist
  • alpha-adrenergic antagonist
  • alpha-adrenergic drug
  • neurotransmitter agent
  • pharmaceutical

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 WB 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 WB 4101 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is WB 4101?

N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine is a benzodioxine that is 2,3-dihydro-1,4-benzodioxine bearing a [(2',6'-dimethoxyphenoxy)ethylamino]methyl group at position 2. An alpha1A-adrenergic selective antagonist. It has a role as an alpha-adrenergic antagonist.

What is the CAS number of WB 4101?

The CAS registry number of WB 4101 is 613-67-2.

What is the molecular formula and weight of WB 4101?

The molecular formula of WB 4101 is C19H23NO5 and its molar mass is 345.40 g/mol.

What is WB 4101 used for?

Known uses and roles of WB 4101 include building blocks in research and laboratory, screening compounds in research and laboratory, adrenergic agent, adrenergic antagonist, alpha-adrenergic antagonist and 4 more.

Is WB 4101 hazardous?

No GHS hazard classification for WB 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 WB 4101?

WB 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 WB 4101?

CompoundList lists 2 suppliers of WB 4101 in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of WB 4101?

Suppliers quote WB 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 WB 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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