N-Acetylimidazolidinone

HCID 79350
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Basic information

CAS
5391-39-9
Standard SMILES
CC(=O)N1CCNC1=O
InChIKey
JJWACYUTERPMBM-UHFFFAOYSA-N
Molecular formula
C5H8N2O2
Average molar mass
128.13 g/mol
Monoisotopic mass
128.0585775

Names & identifiers

Preferred name
N-Acetylimidazolidinone
IUPAC
1-acetylimidazolidin-2-one
English name
1-Acetyl-2-imidazolidinone
Molecular formula
C5H8N2O2
Molecular weight
128.13

Names & synonyms

1-Acetyl-2-imidazolidinone5391-39-9N-Acetyl-2-Imidazolidinone2-Imidazolidinone, 1-acetyl-N-AcetylimidazolidinoneI618FH9ZLMEINECS 226-388-31-ACETYLIMIDAZOLIDINONECLONIDINE HYDROCHLORIDE IMPURITY A [EP IMPURITY]CLONIDINE HYDROCHLORIDE IMPURITY A (EP IMPURITY)RefChem:828913226-388-3
Show more names
Acetyl Ethylene UreaRARECHEM AQ NN 0041ACETYL IMIDAZO-2-ONEClonidine Impurity AClonidine IMpurity-A(BP)1-Acetyl-2-Imidazolidone1-acetyl-2-imidazolidine
1-acetylimidazolidin-2-oneMFCD00988254Clonidine EP Impurity A1-Acetyl-imidazolidin-2-oneN-acetyl-2imidazolidinoneN-acetyl-imidazolid-2-one1-acetyl-imidazolidine-2-one1- Acetyl-imidazolidin-2-on

Database identifiers

CAS
5391-39-9
PubChem CID
79350
DTXSID
DTXSID40202187
ChEMBL
CHEMBL4576725
UNII
I618FH9ZLM
EC Number
226-388-3
Nikkaji
J217.942C

Properties

Computed structural properties

XLogP
-0.9
Topological polar surface area
49.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
9

Physicochemical properties

Melting point
173 · 173-175°C
Density
1.237 · 1.237
storage temp.
Sealed in dry,Room Temperature
solubility
Chloroform (Sparingly), DMSO (Sparingly), Methanol (Slightly, Heated)
form
Solid
pka
12.11 · 12.11±0.20(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 28.6% (2 of 7) of reports.

Warning

H302 (57.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (57.1%)

Safety data

hs_code
2933.29.9000
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319
Precautionary statements
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications

Uses1-Acetyl-2-imidazolidinone (Clonidine EP Impurity A) is a synthetic reagent used in the preparation of triple [14C]-labelled moxonidine which is an antihypertensive compound.

Uses1-Acetyl-2-imidazolidinone (Clonidine EP Impurity A) is a synthetic reagent used in the preparation of triple [14C]-labelled moxonidine which is an antihypertensive compound.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉鹏垒生物科技有限公司15871464247 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

Related reactions

97 records
New reaction record

Compound notes

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