Cyclohexyl-4-pyridinylmethanone
Basic information
- CAS
32921-23-6- Standard SMILES
O=C(c1ccncc1)C1CCCCC1- InChIKey
RTTGIHAIWOHFBI-UHFFFAOYSA-N- Molecular formula
- C12H15NO
- Average molar mass
- 189.25 g/mol
- Monoisotopic mass
- 189.1153641
Names & identifiers
- Preferred name
- Cyclohexyl-4-pyridinylmethanone
- IUPAC
- cyclohexyl(pyridin-4-yl)methanone
- English name
- Cyclohexyl(4-pyridyl) ketone
- Molecular formula
- C12H15NO
- Molecular weight
- 189.25
Names & synonyms
32921-23-6KETONE, CYCLOHEXYL 4-PYRIDYLDTXSID60186576RefChem:1082632Cyclohexyl-4-pyridinylmethanoneDTXCID001090674-cyclohexanecarbonylpyridinecyclohexyl(pyridin-4-yl)methanone4-(Cyclohexylcarbonyl)pyridineCyclohexyl(4-pyridyl) ketoneCyclohexyl 4-pyridyl ketonePyridine, 4-(cyclohexylcarbonyl)-
Show more names
Methanone, cyclohexyl-4-pyridinyl-
BRN 15276774-pyridyl cyclohexyl ketone5-21-08-00144 (Beilstein Handbook Reference)cyclohexyl(4-pyridyl)methanonecyclohexyl(4-pyridinyl)methanoneSCHEMBL11638730AKOS010014806CS-0451108
Database identifiers
- CAS
32921-23-6- PubChem CID
- 36277
- DTXSID
DTXSID60186576- Nikkaji
- J41.543J
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Boiling point
- 324.52 °C · 324.52°C (rough estimate)
- Density
- 1.0356 · 1.0356 (rough estimate)
- refractive index
- 1.54 · 1.5400 (estimate)
- pka
- 3.18 · 3.18±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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