Basic information
- CAS
2524-90-5- Standard SMILES
CC(=O)c1ncc(C)[nH]1- InChIKey
XSLIWFPYEWEYLL-UHFFFAOYSA-N- Molecular formula
- C6H8N2O
- Average molar mass
- 124.14 g/mol
- Monoisotopic mass
- 124.06366288
Names & identifiers
- Preferred name
- 1-(4-Methyl-1H-imidazol-2-yl)ethanone
- IUPAC
- 1-(5-methyl-1H-imidazol-2-yl)ethanone
- English name
- 1-(4-Methyl-1H-imidazol-2-yl)-ethanone
- Molecular formula
- C6H8N2O
- Molecular weight
- 124.14
Names & synonyms
1-(4-Methyl-1H-imidazol-2-yl)ethanone2524-90-5DTXSID50340584RefChem:425826DTXCID70291665887-369-92-Acetyl-4-methylimidazole1-(4-methyl-1H-imidazol-2-yl)ethan-1-one1-(5-methyl-1H-imidazol-2-yl)ethanoneEthanone, 1-(4-methyl-1H-imidazol-2-yl)-1-(4-METHYL-1H-IMIDAZOL-2-YL)-ETHANONEMFCD08668179
Show more names
Medetomidine Impurity 75Sulfamethoxypyridazine Impurity 31-(4-methyl-3H-imidazol-2-yl)ethanoneEthanone, 1-(5-methyl-1H-imidazol-2-yl)-ethylone,1-(4-methyl-1H-imidazoleyl-2-yl)-
Ketone, methyl 4(or 5)-methylimidazol-2-yl2-Acetyl-4-methyl-1H-imidazole4-Methyl-1H-imidazol-2-yl(methyl) ketoneSCHEMBL1613063SCHEMBL5309911SCHEMBL10675730SCHEMBL14151135SCHEMBL14151623
Database identifiers
- CAS
2524-90-5- PubChem CID
- 565883
- DTXSID
DTXSID50340584- EC Number
- 887-369-9
- Nikkaji
- J100.519G
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Boiling point
- 282.6 · 282.6±33.0 °C(Predicted)
- Density
- 1.141 · 1.141±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 12.04 · 12.04±0.10(Predicted)
- InChI
- InChI=1S/C6H8N2O/c1-4-3-7-6(8-4)5(2)9/h3H,1-2H3,(H,7,8)
- InChIKey
- XSLIWFPYEWEYLL-UHFFFAOYSA-N
- SMILES
- C(=O)(C1NC(C)=CN=1)C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H315-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319-H315-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers17 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
海蔚化学86-21-51086038 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
上海研邦医药科技有限公司15618536883 · [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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