1,6-Dimethylpyridin-2-one
Basic information
- CAS
15031-43-3- Standard SMILES
Cc1cccc(=O)n1C- InChIKey
POAHPUAXLGJEIJ-UHFFFAOYSA-N- Molecular formula
- C7H9NO
- Average molar mass
- 123.15 g/mol
- Monoisotopic mass
- 123.06841391
Names & identifiers
- Preferred name
- 1,6-Dimethylpyridin-2-one
- IUPAC
- 1,6-dimethylpyridin-2-one
- English name
- 1,6-dimethylpyridin-2-one
- Molecular formula
- C7H9NO
- Molecular weight
- 123.15
Names & synonyms
1,6-dimethylpyridin-2-one15031-43-31,6-Dimethyl-2(1H)-pyridinone1,2-Dimethyl-6-pyridone2(1H)-Pyridone, 1,6-dimethyl-2(1H)-Pyridinone, 1,6-dimethyl-NSC-2661321,6-dimethylpyridin-2(1h)-one2(1H)-Pyridinone,1,6-dimethyl-NSC2661321,6-Dimethyl-1,2-dihydropyridin-2-one6-Methyl-N-methylpyridon
Show more names
1,6-Dimethyl-2(1H)-pyridone1,6-Dimethyl-1,2-dihydropyridine-2-one
SCHEMBL791300SCHEMBL9556662(1H)-Pyridone,6-dimethyl-ZH7B2N3D582(1H)-Pyridinone,6-dimethyl-SCHEMBL22835044DTXSID60313062POAHPUAXLGJEIJ-UHFFFAOYSA-N
Database identifiers
- CAS
15031-43-3- PubChem CID
- 319981
- DTXSID
DTXSID60313062- UNII
- ZH7B2N3D58
- Nikkaji
- J101.112J
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Melting point
- 352 °C · 352 °C
- Boiling point
- 110 °C · 110 °C(Press: 2 Torr)
- Density
- 1.038 · 1.038±0.06 g/cm3(Predicted)
- pka
- 0.92 · 0.92±0.62(Predicted)
- FDA UNII
- 7 B2N3D58 · ZH7B2N3D58
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…