CompoundList
Sign in
Heterocyclic building blocks

Allobarbital

Also known as Allobarbitone, 5,5-Diallylbarbituric acid, Diallylbarbital

CAS 52-43-7Formula C10H12N2O3Molar mass 208.22 g/molEC 200-140-4
GHS signal word: Danger. Pictograms: Acute toxicity (severe) Prohibited, not for trade
Why it is not for trade
Allobarbital chemical structure, C10H12N2O3, CAS 52-43-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
52-43-7
Formula
C10H12N2O3
Molar mass
208.22 g/mol
EC number
200-140-4
HS code
293353
Category
Heterocyclic building blocks

What is Allobarbital?

Plain description, key identifiers and synonyms

Allobarbital is a member of barbiturates.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
CAS number
52-43-7 CAS number cross-checked
EC number
200-140-4
Molecular formula
C10H12N2O3
UNII
8NT43GG2HA
InChIKey
FDQGNLOWMMVRQL-UHFFFAOYSA-N
InChI
InChI=1S/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)
SMILES (canonical and isomeric)
C=CCC1(C(=O)NC(=O)NC1=O)CC=C

Synonyms

  • Allobarbitone
  • 5,5-Diallylbarbituric acid
  • Diallylbarbital
  • Diallymal
  • Diallylbarbituric acid
  • Alobarbital
  • Allobarbitalum
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-di-2-propenyl-
  • diallylmal
  • diallyl barbituric acid
  • 5,5-bis(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
  • Barbidal
  • Allylbarbitural
  • Barballyl
  • Dormallyl
  • Novallyl
  • Curral
  • Diadol
  • Malilum
  • Alnox
  • Malil
  • Dorm
  • Allbarbital
  • Dial (barbiturate)
  • Dialog
Show all 35 synonyms
  • Diallylbarbiturate
  • Barbituric acid, 5,5-diallyl-
  • 5,5-Di-2-propenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • Diallymalum
  • Allobarbitale
  • 5,5-Diallylbarbitursaeure
  • Allobarbital (1.0mg/ml in Acetonitrile)
  • 5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
  • Go 1058
  • Allybarbitural

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
208.22 g/molcalc.
Exact mass
208.0848 Dacalc.
LogP (octanol/water)
0.49calc.
Topological polar surface area
75.27 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
4calc.
Heavy atoms
15calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.3calc.
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=C1CC(=O)NC(=O)N1

O=C1CC(=O)NC(=O)N1

1 ring, 9 atoms, the Barbituric acid ring system.

747 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)

Hazard statements

  • H301Toxic if swallowed.
Precautionary statements (7)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Allobarbital suppliers

Trading restrictions apply to this substance

Psychotropic substance

Allobarbital 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, HS 2022 subheading 2933.53 (barbiturates)

Our policy on controlled substances

Allobarbital 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

Psychotropic substance

Allobarbital 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, HS 2022 subheading 2933.53 (barbiturates)

Our policy on controlled substances

Controls

  • Controlled psychotropic substance

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2933.53Exact HS code

Allobarbital (INN), amobarbital (INN), barbital (INN), butalbital (INN), butobarbital…

World exports in 2024
$38.3M
+53.4% vs 2023, imports $32M
2019 to 2024
Top exporters
  1. Ireland45.2%
  2. Germany19.5%
  3. China8.8%
Top importers
  1. United States19.2%
  2. Italy16.9%
  3. Netherlands14.7%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Allobarbital is indicative (it was matched by name in the HS nomenclature). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Allobarbital?

Allobarbital is a member of barbiturates.

What is the CAS number of Allobarbital?

The CAS registry number of Allobarbital is 52-43-7.

What is the molecular formula and weight of Allobarbital?

The molecular formula of Allobarbital is C10H12N2O3 and its molar mass is 208.22 g/mol.

What is Allobarbital used for?

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

Is Allobarbital hazardous?

Allobarbital carries the GHS signal word "Danger". Main hazards: toxic if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Allobarbital?

Allobarbital is usually classified under HS code 293353 (Allobarbital (INN), amobarbital (INN), barbital (INN), butalbital (INN), butobarbital…). This is indicative, confirm it with your customs broker before shipping.

Can I buy Allobarbital on CompoundList?

No. Allobarbital 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 Allobarbital

Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page

Explore more in Heterocyclic building blocks or HS code 293353

Not available for trade
Why