3-Acetyl-2-methylquinoline
Basic information
- CAS
14208-35-6- Standard SMILES
CC(=O)c1cc2ccccc2nc1C- InChIKey
OKDWGFQXJYJNIJ-UHFFFAOYSA-N- Molecular formula
- C12H11NO
- Average molar mass
- 185.22 g/mol
- Monoisotopic mass
- 185.08406397
Names & identifiers
- Preferred name
- 3-Acetyl-2-methylquinoline
- IUPAC
- 1-(2-methylquinolin-3-yl)ethanone
- English name
- 3-Acetyl-2-methylquinoline
- Molecular formula
- C12H11NO
- Molecular weight
- 185.22
Names & synonyms
14208-35-63-Acetyl-2-methylquinolineDTXSID40406062RefChem:276188DTXCID603569141-(2-methylquinolin-3-yl)ethanone1-(2-methylquinolin-3-yl)ethan-1-oneMFCD097543681-(2-Methyl-3-quinolinyl)ethanoneEthanone, 1-(2-methyl-3-quinolinyl)-1-(2-methyl-3-quinolyl)ethanone3-acetyl-2-methyl-quinoline
Show more names
1-(2-methylquinoline-3-yl)ethylone
SCHEMBL7915323SCHEMBL9870453AKOS006326716SB67636BS-50716SY276671CS-01527441-(2-Methylquinolin-3-yl)ethanone - [M92808]
Database identifiers
- CAS
14208-35-6- PubChem CID
- 4729271
- DTXSID
DTXSID40406062- Nikkaji
- J81.730I
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Melting point
- 57 · 57-58 °C
- Boiling point
- 306.6 · 306.6±22.0 °C(Predicted)
- Density
- 1.125 · 1.125±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 4.11 · 4.11±0.50(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…