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Screening compounds

Methylenedioxynitazene

Also known as 3',4'-methylenedioxynitazene, 1H-Benzimidazole-1-ethanamine, 2-(1,3-benzodioxol-5-ylmethyl)-N,N-diethyl-5-nitro-, 2-(2-(benzodioxol-5-ylmethyl)-5-nitro-1H-benzimidazol-1-yl)-N,N-diethylethan-1-amine

CAS 3085641-38-6Formula C21H24N4O4Molar mass 396.45 g/mol
Prohibited, not for trade
Why it is not for trade
Methylenedioxynitazene chemical structure, C21H24N4O4, CAS 3085641-38-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3085641-38-6
Formula
C21H24N4O4
Molar mass
396.45 g/mol
HS code
293499
Category
Screening compounds

What is Methylenedioxynitazene?

Plain description, key identifiers and synonyms

Methylenedioxynitazene is a chemical substance with the molecular formula C21H24N4O4 and a molar mass of 396.45 g/mol. Its CAS registry number is 3085641-38-6. The IUPAC name is 2-[2-(1,3-benzodioxol-5-ylmethyl)-5-nitrobenzimidazol-1-yl]-N,N-diethylethanamine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[2-(1,3-benzodioxol-5-ylmethyl)-5-nitrobenzimidazol-1-yl]-N,N-diethylethanamine
CAS number
3085641-38-6
Molecular formula
C21H24N4O4
UNII
4SD3B8E6JY
InChIKey
RRRJUZFZCVIDSM-UHFFFAOYSA-N
InChI
InChI=1S/C21H24N4O4/c1-3-23(4-2)9-10-24-18-7-6-16(25(26)27)13-17(18)22-21(24)12-15-5-8-19-20(11-15)29-14-28-19/h5-8,11,13H,3-4,9-10,12,14H2,1-2H3
SMILES (canonical and isomeric)
CCN(CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC3=CC4=C(C=C3)OCO4

Synonyms

  • 3',4'-methylenedioxynitazene
  • 1H-Benzimidazole-1-ethanamine, 2-(1,3-benzodioxol-5-ylmethyl)-N,N-diethyl-5-nitro-
  • 2-(2-(benzodioxol-5-ylmethyl)-5-nitro-1H-benzimidazol-1-yl)-N,N-diethylethan-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
396.45 g/molcalc.
Exact mass
396.1798 Dacalc.
LogP (octanol/water)
3.61calc.
Topological polar surface area
82.66 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
8calc.
Heavy atoms
29calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.38calc.
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, c1ccc2[nH]c(Cc3ccc4c(c3)OCO4)nc2c1

c1ccc2[nH]c(Cc3ccc4c(c3)OCO4)nc2c1

4 rings, 19 atoms.

1 other chemical 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.

Methylenedioxynitazene suppliers

Trading restrictions apply to this substance

New psychoactive substance

Methylenedioxynitazene is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.

Listing and enquiries are not allowed for this substance.

Reference: UN Convention on Psychotropic Substances 1971

Our policy on controlled substances

Methylenedioxynitazene price

Indicative price range per kg from live supplier offers

Prices are not shown for prohibited substances.

Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

New psychoactive substance

Methylenedioxynitazene is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.

Listing and enquiries are not allowed for this substance.

Reference: UN Convention on Psychotropic Substances 1971

Our policy on controlled substances

Controls

  • New psychoactive substance under control

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Methylenedioxynitazene is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Methylenedioxynitazene?

Methylenedioxynitazene is a chemical substance with the molecular formula C21H24N4O4 and a molar mass of 396.45 g/mol. Its CAS registry number is 3085641-38-6. The IUPAC name is 2-[2-(1,3-benzodioxol-5-ylmethyl)-5-nitrobenzimidazol-1-yl]-N,N-diethylethanamine.

What is the CAS number of Methylenedioxynitazene?

The CAS registry number of Methylenedioxynitazene is 3085641-38-6.

What is the molecular formula and weight of Methylenedioxynitazene?

The molecular formula of Methylenedioxynitazene is C21H24N4O4 and its molar mass is 396.45 g/mol.

What is Methylenedioxynitazene used for?

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

Is Methylenedioxynitazene hazardous?

No GHS hazard classification for Methylenedioxynitazene 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 Methylenedioxynitazene?

Methylenedioxynitazene is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Can I buy Methylenedioxynitazene on CompoundList?

No. Methylenedioxynitazene is on our prohibited list, so listings, quotes and messages for it are disabled. This page is kept for information only.

Guides for buyers

Practical guides that help when you source, ship or handle Methylenedioxynitazene

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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