Basic information
- CAS
1721-25-1- Standard SMILES
CC(=O)c1ccc(C)nc1C- InChIKey
QICFGQJIWDJROU-UHFFFAOYSA-N- Molecular formula
- C9H11NO
- Average molar mass
- 149.19 g/mol
- Monoisotopic mass
- 149.08406397
Names & identifiers
- Preferred name
- 1-(2,6-Dimethylpyridin-3-YL)ethanone
- IUPAC
- 1-(2,6-dimethyl-3-pyridinyl)ethanone
- English name
- 3-Acetyl-2,6-lutidine
- Molecular formula
- C9H11NO
- Molecular weight
- 149.19
Names & synonyms
1721-25-11-(2,6-DIMETHYLPYRIDIN-3-YL)ETHANONE3-Acetyl-2,6-lutidine1-(2,6-dimethylpyridin-3-yl)ethan-1-oneEthanone, 1-(2,6-dimethyl-3-pyridinyl)- (9CI)MFCD098090622,6-Dimethyl-3-acetylpyridine2,6-Dimethyl-3-pyridyl Methyl KetoneSCHEMBL1639501SCHEMBL1640178DTXSID00536950BAA72125
Show more names
Ethanone, 1-(2,6-dimethyl-3-pyridinyl)-1-(2, 6-dimethylpyridine-3-yl) ethyl ketone1-(2,6-Dimethylpyridin-3-yl)ethan-1-one - [D92605]
1-(2,6-dimethyl-3-pyridyl)ethanone1-(26-Dimethylpyridin-3-yl)ethanoneAKOS0001642001-(2,6-diMethyl-3-pyridine)ethanoneSB549561-(2,6-diMethyl-3-pyridinyl)-EthanoneAS-93205DA-31522
Database identifiers
- CAS
1721-25-1- PubChem CID
- 13328107
- DTXSID
DTXSID00536950- Nikkaji
- J2.639.377I
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Melting point
- 34 · 34-35 °C
- Boiling point
- 108 °C · 108 °C
- Density
- 1.016 · 1.016±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.88 · 4.88±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesAs a tri-substotuted pryidine derivative, 3-Acetyl-2,6-lutidine can be used in the preparation of histamine H3 antagonists.
Suppliers21 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
南京爱珂医药科技有限公司025-58395930 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
南京新瑞医药科技有限公司19850079587 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海腾渤医药科技有限公司021-54338626 18017892860 · [email protected]
南京克罗托鲁宁医药科技有限公司13382066392
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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