Basic information
- CAS
53064-61-2- Standard SMILES
CC(=O)c1[nH]c(=O)[nH]c1C- InChIKey
BOLAKRYXHRIMIX-UHFFFAOYSA-N- Molecular formula
- C6H8N2O2
- Average molar mass
- 140.14 g/mol
- Monoisotopic mass
- 140.0585775
Names & identifiers
- Preferred name
- 4-Acetyl-5-methyl-1,3-dihydro-2H-imidazol-2-one
- IUPAC
- 4-acetyl-5-methyl-1,3-dihydroimidazol-2-one
- English name
- 4-Acetyl-5-methyl-1,3-dihydro-2H-imidazol-2-one
- Molecular formula
- C6H8N2O2
- Molecular weight
- 140.14
Names & synonyms
53064-61-24-Acetyl-5-methyl-1,3-dihydro-2H-imidazol-2-oneDTXSID40343125RefChem:289642DTXCID00294205BOLAKRYXHRIMIX-UHFFFAOYSA-N4-acetyl-5-methyl-1,3-dihydroimidazol-2-one1-(2-Hydroxy-4-methyl-1H-imidazol-5-yl)ethan-1-oneSCHEMBL10877244SCHEMBL11292454MFCD01566479AKOS005199332
Show more names
4-Acetyl-5-methyl-1H-imidazol-2(3H)-one2H-Imidazol-2-one, 4-acetyl-1,3-dihydro-5-methyl-
4-Acetyl-5-methyl-2H-imidazol-2-oneDB-367278CS-0363390F18115
Database identifiers
- CAS
53064-61-2- PubChem CID
- 587644
- DTXSID
DTXSID40343125
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Melting point
- 322 °C · 322 °C (decomp)
- Density
- 1.189 · 1.189±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 10.7 · 10.70±0.70(Predicted)
- Hazard Note
- Harmful
- HS Code
- 2933299090 · 2933299090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933299090
- hazard_note
- Harmful
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers8 total
T&W GROUP021-61551611 13296011611 · [email protected]
斯芬克司药物研发（天津）股份有限公司022-66211289-843 13672102692 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
德州博腾精细化工有限公司[email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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