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Parabanic acid - 98%, high purity , CAS No.120-89-8

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Parabanic acid - 98%, high purity , CAS No.120-89-8

COA

Grade & Purity:

≥98%

Cas Number: 120-89-8
Molecular Weight: 114.06
Beilstein Registry Number: 24(2)263
EC Number: 204-434-3
MDL number: MFCD00014493
PubChem CID: 67126
PubChem SID: 504754121

In stock

Item Number

P112741

Grouped product items
SKU	Size	Availability	Price
P112741-1g	1g	3	$52.90
P112741-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$235.90
P112741-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,058.90

View related series

Halogen free heterocyclic block (1207) Heterocyclic block (497)

Basic Description

Synonyms	2,4,5-Imidazolidinetrione # \| EINECS 204-434-3 \| Trioxoimidazolidine \| s10361 \| SCHEMBL123424 \| A18128 \| parabanate \| AI3-60193 \| imidazolidine-2,4,5-trione \| Q17190867 \| 2,4,5-Trioxoimidazolidine \| Imidazoletrione \| NSC9789 \| NSC-9789 \| 3XGR439T9P \| FT-0
Specifications & Purity	≥98%
Storage Temp	Desiccated
Shipped In	Normal
Product Description	Application Reactant for:Enantiospecific assembly of homochiral, hexanuclear palladium complexes.Mitsunobu reactions.Quantitative cascade condensation reactions Reactant for synthesis of:Pyridine derivatives.Nitroesters.Parabanic acid derivatives

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azolines
    - Subclass Imidazolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azolines
Subclass	Imidazolines
Intermediate Tree Nodes	Not available
Direct Parent	Imidazolinones
Alternative Parents	Dicarboximides Organic carbonic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Imidazolinone - Dicarboximide - Carbonic acid derivative - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as imidazolinones. These are organic compounds containing an imidazolinone moiety, which is an imidazoline ring bearing a ketone.
External Descriptors	an amine
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

Discover Target: SMAD3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504754121
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754121
IUPAC Name	imidazolidine-2,4,5-trione
INCHI	InChI=1S/C3H2N2O3/c6-1-2(7)5-3(8)4-1/h(H2,4,5,6,7,8)
InChIKey	ZFLIKDUSUDBGCD-UHFFFAOYSA-N
Smiles	C1(=O)C(=O)NC(=O)N1
Isomeric SMILES	C1(=O)C(=O)NC(=O)N1
WGK Germany	3
Molecular Weight	114.06
Beilstein	24(2)263
Reaxy-Rn	117020
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=117020&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
H1427038	Certificate of Analysis	Jun 20, 2022	P112741
G2208041	Certificate of Analysis	Jun 17, 2022	P112741
G2209155	Certificate of Analysis	Jun 17, 2022	P112741

Chemical and Physical Properties

Solubility	soluble in water
Melt Point(°C)	249°C
Molecular Weight	114.060 g/mol
XLogP3	-0.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	114.007 Da
Monoisotopic Mass	114.007 Da
Topological Polar Surface Area	75.300 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	155.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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