Basic information
- CAS
50990-45-9- Standard SMILES
O=c1ccccn1CCCCCCO- InChIKey
MXUJKYRKJCRFQP-UHFFFAOYSA-N- Molecular formula
- C11H17NO2
- Average molar mass
- 195.26 g/mol
- Monoisotopic mass
- 195.12592879
Names & identifiers
- Preferred name
- omega-Hydroxyhexylpyridone-2
- IUPAC
- 1-(6-hydroxyhexyl)pyridin-2-one
- English name
- omega-hydroxyhexylpyridone-2
- Molecular formula
- C11H17NO2
- Molecular weight
- 195.26
Names & synonyms
omega-Hydroxyhexylpyridone-21-(6-Hydroxyhexyl)-2-pyridone50990-45-9DTXSID70198988RefChem:168208DTXCID301214791-(6-hydroxyhexyl)pyridin-2(1H)-oneSCHEMBL116111662(1H)-Pyridinone, 1-(6-hydroxyhexyl)-
Database identifiers
- CAS
50990-45-9- PubChem CID
- 216320
- DTXSID
DTXSID70198988
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Boiling point
- 394.581 · 394.581±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.075 · 1.075±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 15.178 · 15.178±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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