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Screening compounds

Acetoxynitazene

Also known as Phenol, 4-((1-(2-(diethylamino)ethyl)-5-nitro-1H-benzimidazol-2-yl)methyl)-, 1-acetate, p-Cresol, alpha-(1-(2-diethylaminoethyl)-5-nitro-2-benzimidazolyl)-, acetate

CAS 102760-24-7Formula C22H26N4O4Molar mass 410.47 g/mol
Prohibited, not for trade
Why it is not for trade
Acetoxynitazene chemical structure, C22H26N4O4, CAS 102760-24-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
102760-24-7
Formula
C22H26N4O4
Molar mass
410.47 g/mol
HS code
293399
Category
Screening compounds

What is Acetoxynitazene?

Plain description, key identifiers and synonyms

Acetoxynitazene is a chemical substance with the molecular formula C22H26N4O4 and a molar mass of 410.47 g/mol. Its CAS registry number is 102760-24-7. The IUPAC name is [4-[[1-[2-(diethylamino)ethyl]-5-nitrobenzimidazol-2-yl]methyl]phenyl] acetate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[4-[[1-[2-(diethylamino)ethyl]-5-nitrobenzimidazol-2-yl]methyl]phenyl] acetate
CAS number
102760-24-7
Molecular formula
C22H26N4O4
UNII
DH3K5P5S7F
InChIKey
YFXUKAOJFVCFLK-UHFFFAOYSA-N
InChI
InChI=1S/C22H26N4O4/c1-4-24(5-2)12-13-25-21-11-8-18(26(28)29)15-20(21)23-22(25)14-17-6-9-19(10-7-17)30-16(3)27/h6-11,15H,4-5,12-14H2,1-3H3
SMILES (canonical and isomeric)
CCN(CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC3=CC=C(C=C3)OC(=O)C

Synonyms

  • Phenol, 4-((1-(2-(diethylamino)ethyl)-5-nitro-1H-benzimidazol-2-yl)methyl)-, 1-acetate
  • p-Cresol, alpha-(1-(2-diethylaminoethyl)-5-nitro-2-benzimidazolyl)-, acetate

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
410.47 g/molcalc.
Exact mass
410.1954 Dacalc.
LogP (octanol/water)
3.8calc.
Topological polar surface area
90.5 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
9calc.
Heavy atoms
30calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.36calc.
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, c1ccc(Cc2nc3ccccc3[nH]2)cc1

c1ccc(Cc2nc3ccccc3[nH]2)cc1

3 rings, 16 atoms, the Bendazol ring system.

335 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.

Acetoxynitazene suppliers

Trading restrictions apply to this substance

New psychoactive substance

Acetoxynitazene 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

Acetoxynitazene 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

Acetoxynitazene 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 Acetoxynitazene is traded under.

HS 2933.99Indicative HS code

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

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Acetoxynitazene?

Acetoxynitazene is a chemical substance with the molecular formula C22H26N4O4 and a molar mass of 410.47 g/mol. Its CAS registry number is 102760-24-7. The IUPAC name is [4-[[1-[2-(diethylamino)ethyl]-5-nitrobenzimidazol-2-yl]methyl]phenyl] acetate.

What is the CAS number of Acetoxynitazene?

The CAS registry number of Acetoxynitazene is 102760-24-7.

What is the molecular formula and weight of Acetoxynitazene?

The molecular formula of Acetoxynitazene is C22H26N4O4 and its molar mass is 410.47 g/mol.

What is Acetoxynitazene used for?

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

Is Acetoxynitazene hazardous?

No GHS hazard classification for Acetoxynitazene 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 Acetoxynitazene?

Acetoxynitazene is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Can I buy Acetoxynitazene on CompoundList?

No. Acetoxynitazene 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 Acetoxynitazene

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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