Basic information
- CAS
73937-21-0- Standard SMILES
CC(=O)c1cc(C)nc(C)n1- InChIKey
XCVVTFGVFNXFDD-UHFFFAOYSA-N- Molecular formula
- C8H10N2O
- Average molar mass
- 150.18 g/mol
- Monoisotopic mass
- 150.07931295
Names & identifiers
- Preferred name
- 1-(2,6-Dimethylpyrimidin-4-yl)ethanone
- IUPAC
- 1-(2,6-dimethylpyrimidin-4-yl)ethanone
- English name
- Ethanone,1-(2,6-dimethyl-4-pyrimidinyl)-
- Molecular formula
- C8H10N2O
- Molecular weight
- 150.18
Names & synonyms
73937-21-01-(2,6-dimethylpyrimidin-4-yl)ethanone1-(2,6-Dimethylpyrimidin-4-yl)ethan-1-oneSCHEMBL882675DTXSID80502633AKOS006330501DB-286928Ethanone, 1-(2,6-dimethyl-4-pyrimidinyl)-Ethanone,1-(2,6-dimethyl-4-pyrimidinyl)-Ethanone, 1-(2,6-dimethyl-4-pyrimidinyl)- (9CI)
Database identifiers
- CAS
73937-21-0- PubChem CID
- 12562148
- DTXSID
DTXSID80502633- Nikkaji
- J655.793G
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Boiling point
- 96 · 96-98 °C(Press: 20 Torr)
- Density
- 1.073 · 1.073±0.06 g/cm3(Predicted)
- pka
- 0.69 · 0.69±0.30(Predicted)
Chemistry & industry
Suppliers1 total
上海任跃化学科技有限公司021-62219190; 18321139117 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…