Basic information
- CAS
898780-45-5- Standard SMILES
Cc1ccc(C(=O)c2ccccn2)c(C)c1- InChIKey
FYJSQABUSNKSOC-UHFFFAOYSA-N- Molecular formula
- C14H13NO
- Average molar mass
- 211.26 g/mol
- Monoisotopic mass
- 211.09971404
Names & identifiers
- Preferred name
- 2-(2,4-Dimethylbenzoyl)pyridine
- IUPAC
- (2,4-dimethylphenyl)-pyridin-2-ylmethanone
- English name
- (2,4-dimethylphenyl)(pyridin-2-yl)methanone
- Molecular formula
- C14H13NO
- Molecular weight
- 211.26
Names & synonyms
2-(2,4-DIMETHYLBENZOYL)PYRIDINE898780-45-5(2,4-dimethylphenyl)-pyridin-2-ylmethanone(2,4-dimethylphenyl)(pyridin-2-yl)methanoneMFCD04037253DTXSID103556992,4-dimethylphenyl 2-pyridyl ketoneSBB094502AKOS012096441(2,4-dimethylphenyl)-(2-pyridyl)methanoneAB-016/41252632F202582
Show more names
(2,4-Dimethylphenyl)-2-pyridinylmethanoneMethanone, (2,4-dimethylphenyl)-2-pyridinyl-
Database identifiers
- CAS
898780-45-5- PubChem CID
- 816746
- DTXSID
DTXSID10355699
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 339.1 · 339.1±27.0 °C(Predicted)
- Density
- 1.092 · 1.092±0.06 g/cm3(Predicted)
- pka
- 3.05 · 3.05±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- 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
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
上海金源瑞医药科技有限公司021-18217523 18217523428 · [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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