Basic information
- CAS
115864-74-9- Standard SMILES
CCCn1ccc(=O)c(O)c1CC- InChIKey
FKIQYJKMNFKPFA-UHFFFAOYSA-N- Molecular formula
- C10H15NO2
- Average molar mass
- 181.23 g/mol
- Monoisotopic mass
- 181.11027872
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Ethyl-3-hydroxy-1-propyl-4-pyridinone
- IUPAC
- 2-ethyl-3-hydroxy-1-propylpyridin-4-one
- English name
- 2-ethyl-3-hydroxy-1-propyl-4-pyridinone
- Molecular formula
- C10H15NO2
- Molecular weight
- 181.23
Names & synonyms
2-Ethyl-3-hydroxy-1-propyl-4-pyridinone115864-74-9Pehp-11-Propyl-2-ethyl-3-hydroxy-4-pyridoneDTXSID60151209RefChem:86884DTXCID40737002-ethyl-3-hydroxy-1-propylpyridin-4-one4(1H)-Pyridinone, 2-ethyl-3-hydroxy-1-propyl-2-Ethyl-3-hydroxy-1-propyl-4(1H)-pyridinoneCHEMBL79246SCHEMBL5515462
Show more names
2-Ethyl-3-hydroxy-1-propylpyridin-4(1H)-one
Database identifiers
- CAS
115864-74-9- PubChem CID
- 86321
- DTXSID
DTXSID60151209- ChEMBL
CHEMBL79246- Nikkaji
- J466.660G
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 266
Experimental & physicochemical properties
LogP0.7
Physicochemical properties
- Boiling point
- 282.8 · 282.8±40.0 °C(Predicted)
- Density
- 1.096 · 1.096±0.06 g/cm3(Predicted)
- pka
- 9.49 · 9.49±0.20(Predicted)
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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