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Monomers

Propallylonal

Also known as Propaldon, Bromoaprobarbital, Noctal

CAS 545-93-7Formula C10H13BrN2O3Molar mass 289.13 g/molEC 208-896-7
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Propallylonal chemical structure, C10H13BrN2O3, CAS 545-93-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
545-93-7
Formula
C10H13BrN2O3
Molar mass
289.13 g/mol
EC number
208-896-7
HS code
293359
Category
Monomers

What is Propallylonal?

Plain description, key identifiers and synonyms

Propallylonal is a member of barbiturates.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-(2-bromoprop-2-enyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CAS number
545-93-7 CAS number cross-checked
EC number
208-896-7
Molecular formula
C10H13BrN2O3
UNII
1ER3Z9GUQH
InChIKey
KTGWBBOJAGDSHN-UHFFFAOYSA-N
InChI
InChI=1S/C10H13BrN2O3/c1-5(2)10(4-6(3)11)7(14)12-9(16)13-8(10)15/h5H,3-4H2,1-2H3,(H2,12,13,14,15,16)
SMILES (canonical and isomeric)
CC(C)C1(C(=O)NC(=O)NC1=O)CC(=C)Br

Synonyms

  • Propaldon
  • Bromoaprobarbital
  • Noctal
  • Quietal
  • 5-(2-Bromoallyl)-5-isopropylbarbituric acid
  • Barbituric acid, 5-(2-bromoallyl)-5-isopropyl-
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propenyl)-5-(1-methylethyl)-
  • Ibomal
  • Kwietal
  • Noctenal
  • Nostral
  • Quietalum
  • 5-Isopropyl-5-bromallylbarbituric acid
  • 5-Isopropyl-5-(2-bromoallyl)barbituate
  • 5-(2'-Bromallyl)-5-isopropylbarbituric acid
  • 5-(2-bromoprop-2-enyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
  • 5-(2-Bromo-2-propenyl)-5-(1-methylethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-Isopropyl-5-bromoallylbarbituric acid
  • 5-Isopropyl-5-(2-bromoallyl)barbiturate
  • Ibomalum
  • 5-(beta-Bromoallyl)-5-isopropylbarbituric acid
  • Isopropyl-bromallyl-barbitursaeure
  • 4-24-00-01994 (Beilstein Handbook Reference)
  • 5-(2-Bromoprop-2-en-1-yl)-5-(propan-2-yl)-1,3-diazinane-2,4,6-trione
  • 5-Isopropyl-5-(2-bromoallyl)-barbituric acid
Show all 29 synonyms
  • 5-(2-Bromo-2-propenyl)-5-isopropyl-2,4,6(1H,3H,5H)-pyrimidinetrione #
  • 5-(2-bromoprop-2-en-1-yl)-5-isopropylpyrimidine-2,4,6(1H,3H,5H)-trione
  • pyrimidine-2,4,6(1H,3H,5H)-trione, 5-(2-bromoallyl)-5-isopropyl-
  • 5-(2-Bromo-2-propen-1-yl)-5-(1-methylethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

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
289.13 g/molcalc.
Exact mass
288.011 Dacalc.
LogP (octanol/water)
1.29calc.
Topological polar surface area
75.27 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
3calc.
Heavy atoms
16calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.5calc.
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

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.

Propallylonal suppliers

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Propallylonal price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Use classes: Pharmaceuticals.

Industries and functions

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 Propallylonal is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Propallylonal?

Propallylonal is a member of barbiturates.

What is the CAS number of Propallylonal?

The CAS registry number of Propallylonal is 545-93-7.

What is the molecular formula and weight of Propallylonal?

The molecular formula of Propallylonal is C10H13BrN2O3 and its molar mass is 289.13 g/mol.

What is Propallylonal used for?

Use classes: Pharmaceuticals.

Is Propallylonal hazardous?

No GHS hazard classification for Propallylonal 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 Propallylonal?

Propallylonal is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Propallylonal?

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What is the price of Propallylonal?

Suppliers quote Propallylonal 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 Propallylonal

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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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