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1-Acetyl-2-imidazolidinone - ≥98.0%(GC), high purity , CAS No.5391-39-9

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1-Acetyl-2-imidazolidinone - ≥98.0%(GC), high purity , CAS No.5391-39-9

COA

Grade & Purity:

≥98%(GC)

Cas Number: 5391-39-9
Molecular Weight: 128.13
Beilstein Registry Number: 24(5)1,40
MDL number: MFCD00988254
PubChem CID: 79350
PubChem SID: 488185719

In stock

Item Number

A133901

Grouped product items
SKU	Size	Availability	Price
A133901-250mg	250mg	3	$9.90
A133901-1g	1g	9	$11.90
A133901-5g	5g	4	$44.90
A133901-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$220.90

View related series

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

Basic Description

Synonyms	1-acetyl-imidazolidine-2-one \| AKOS006343468 \| N-acetyl-imidazolid-2-one \| SCHEMBL440183 \| EINECS 226-388-3 \| N-acetyl-2imidazolidinone \| N-Acetyl-2-Imidazolidinone \| Carbamic chloride, N,N-bis(1-methylethyl)- \| I618FH9ZLM \| 1- Acetyl-imidazolidin-2-on \|
Specifications & Purity	≥98%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic carbonic acids and derivatives
    - Subclass Ureas
      - Level5 Ureides
        Level6 N-acyl ureas

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic carbonic acids and derivatives
Subclass	Ureas
Intermediate Tree Nodes	Ureides
Direct Parent	N-acyl ureas
Alternative Parents	Imidazolidinones Dicarboximides Acetamides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	N-acyl urea - Imidazolidinone - Dicarboximide - Imidazolidine - Acetamide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-acyl ureas. These are compounds containing an urea bearing a N-acyl group.
External Descriptors	Not available
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(non-human)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

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	488185719
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488185719
IUPAC Name	1-acetylimidazolidin-2-one
INCHI	InChI=1S/C5H8N2O2/c1-4(8)7-3-2-6-5(7)9/h2-3H2,1H3,(H,6,9)
InChIKey	JJWACYUTERPMBM-UHFFFAOYSA-N
Smiles	CC(=O)N1CCNC1=O
Isomeric SMILES	CC(=O)N1CCNC1=O
Molecular Weight	128.13
Beilstein	24(5)1,40
Reaxy-Rn	116079
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=116079&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.

5 results found

Lot Number	Certificate Type	Date	Item
E2315553	Certificate of Analysis	Apr 13, 2023	A133901
H1929181	Certificate of Analysis	Apr 13, 2023	A133901
C2304179	Certificate of Analysis	Mar 16, 2023	A133901
B1528034	Certificate of Analysis	Sep 09, 2022	A133901
E2315451	Certificate of Analysis	Sep 09, 2022	A133901

Chemical and Physical Properties

Melt Point(°C)	185 °C
Molecular Weight	128.130 g/mol
XLogP3	-0.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	128.059 Da
Monoisotopic Mass	128.059 Da
Topological Polar Surface Area	49.400 Å²
Heavy Atom Count	9
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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