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Heterocyclic building blocks

Pentizidone

Also known as Pentizidona, Pentizidonum, acetylacetonylcycloserine

CAS 55694-83-2Formula C8H12N2O3Molar mass 184.20 g/mol
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Pentizidone chemical structure, C8H12N2O3, CAS 55694-83-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
55694-83-2
Formula
C8H12N2O3
Molar mass
184.20 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Pentizidone?

Plain description, key identifiers and synonyms

Pentizidone is a chemical substance with the molecular formula C8H12N2O3 and a molar mass of 184.20 g/mol. Its CAS registry number is 55694-83-2. The IUPAC name is (4R)-4-[[(E)-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4R)-4-[[(E)-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one
CAS number
55694-83-2 CAS number cross-checked
Molecular formula
C8H12N2O3
UNII
0UP011P7BS
InChIKey
DGYLXKOLHICICX-OHCKJTPYSA-N
InChI
InChI=1S/C8H12N2O3/c1-5(3-6(2)11)9-7-4-13-10-8(7)12/h3,7,9H,4H2,1-2H3,(H,10,12)/b5-3+/t7-/m1/s1
Canonical SMILES
CC(=O)C=C(C)NC1CONC1=O
Isomeric SMILES
C/C(=C\C(=O)C)/N[C@@H]1CONC1=O

Synonyms

  • Pentizidona
  • Pentizidonum
  • acetylacetonylcycloserine
  • 4-((1-methyl-3-oxo-1-butenyl)amino)-3-isoxazolidinone hemihydrate
  • (4R)-4-[[(E)-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one
  • (R)-4-((1-Methyl-3-oxo-1-butenyl)amino)-3-isoxazolidinone
  • 3-Isoxazolidinone, 4-((1-methyl-3-oxo-1-butenyl)amino)-, (R)-

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
184.20 g/molcalc.
Exact mass
184.0848 Dacalc.
LogP (octanol/water)
-0.5calc.
Topological polar surface area
67.43 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
3calc.
Heavy atoms
13calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.5calc.
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, O=C1CCON1

O=C1CCON1

1 ring, 6 atoms, the 3-Isoxazolidinone ring system.

140 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.

Pentizidone suppliers

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Pentizidone 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

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

Frequently asked questions

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

What is Pentizidone?

Pentizidone is a chemical substance with the molecular formula C8H12N2O3 and a molar mass of 184.20 g/mol. Its CAS registry number is 55694-83-2. The IUPAC name is (4R)-4-[[(E)-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one.

What is the CAS number of Pentizidone?

The CAS registry number of Pentizidone is 55694-83-2.

What is the molecular formula and weight of Pentizidone?

The molecular formula of Pentizidone is C8H12N2O3 and its molar mass is 184.20 g/mol.

What is Pentizidone used for?

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

Is Pentizidone hazardous?

No GHS hazard classification for Pentizidone 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 Pentizidone?

Pentizidone 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.

Where can I buy Pentizidone?

Post a free request on CompoundList and suppliers of Pentizidone will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Pentizidone?

Suppliers quote Pentizidone 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 Pentizidone

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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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