1-(Pyridin-2-YL)pentan-1-one
Completing data — refresh the page later to see the latest
Basic information
- CAS
7137-97-5- Standard SMILES
CCCCC(=O)c1ccccn1- InChIKey
DGBHHRPKPZCABG-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- 1-(Pyridin-2-YL)pentan-1-one
- IUPAC
- 1-pyridin-2-ylpentan-1-one
- English name
- 2-VALERYLPYRIDINE
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
1-(PYRIDIN-2-YL)PENTAN-1-ONE7137-97-52-VALERYLPYRIDINE1-pyridin-2-ylpentan-1-one1-(2-Pyridinyl)-1-pentanone1-Pentanone, 1-(2-pyridyl)-MFCD076991851-Pentanone, 1-(2-pyridinyl)-pentanoylpyridinen-Butyl 2-pyridyl ketoneSCHEMBL1255008SCHEMBL6249094
Show more names
Butyl 2-pyridyl ketone2-Pyridinylbutyl ketone1-(2-Pyridyl)-1-pentanone1-（pyridin-2-yl）pentan-1-one
SCHEMBL6249096DTXSID703349451-(2-Pyridinyl)-1-pentanone #AKOS011914281SB52845BS-24415DB-074426CS-0205154
Database identifiers
- CAS
7137-97-5- PubChem CID
- 522406
- DTXSID
DTXSID70334945- Nikkaji
- J121.752F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Boiling point
- 249 ℃ · 249℃
- Density
- 0.997 · 0.997
- Flash point
- 111 ℃ · 111℃
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.02 · 3.02±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933399990 · 2933399990
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
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…