Isopropyl 2-pyridyl ketone
Basic information
- CAS
59576-30-6- Standard SMILES
CC(C)C(=O)c1ccccn1- InChIKey
OPPJOYDMQXHCFS-UHFFFAOYSA-N- Molecular formula
- C9H11NO
- Average molar mass
- 149.19 g/mol
- Monoisotopic mass
- 149.08406397
Names & identifiers
- Preferred name
- Isopropyl 2-pyridyl ketone
- IUPAC
- 2-methyl-1-pyridin-2-ylpropan-1-one
- English name
- 2-METHYL-1-(PYRIDIN-2-YL)PROPAN-1-ONE
- Molecular formula
- C9H11NO
- Molecular weight
- 149.19
Names & synonyms
Isopropyl 2-pyridyl ketone59576-30-62-methyl-1-(pyridin-2-yl)propan-1-one2-methyl-1-pyridin-2-ylpropan-1-oneMFCD007785772-methyl-1-(2-pyridinyl)-1-propanone2-Methyl-1-(2-pyridyl)propan-1-oneIsopropyl2-PyridylKetone1-Propanone, 2-methyl-1-(2-pyridinyl)-EINECS 261-814-1isopropylpyridisopropylpyridylketone
Show more names
2-Isobutyrylpyridine1-(2-Pyridyl)-2-methyl-1-propanone
iso-Propyl 2-pyridyl ketoneSCHEMBL888686SCHEMBL29915632DTXSID30208239JCA57630AKOS010015526SB524832-methyl-(1-pyridin-2-yl)propan-1-one
Database identifiers
- CAS
59576-30-6- PubChem CID
- 101083
- DTXSID
DTXSID30208239- EC Number
- 261-814-1
- Nikkaji
- J298.184J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Melting point
- 179 · 179-180 °C
- Boiling point
- 112 °C · 112 °C(Press: 30 Torr)
- Density
- 1.01 · 1.010±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 3.04 · 3.04±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-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
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
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