Basic information
- CAS
5855-23-2- Standard SMILES
CC(=O)N1c2ccccc2C(C)=CC1(C)C- InChIKey
NTEBDFQFERUHKG-UHFFFAOYSA-N- Molecular formula
- C14H17NO
- Average molar mass
- 215.29 g/mol
- Monoisotopic mass
- 215.13101417
Overview
See also: 1-(2,2,4-Trimethyl-1-quinolyl)ethanone (annotation moved to).
Names & identifiers
- Preferred name
- 1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone
- IUPAC
- 1-(2,2,4-trimethylquinolin-1-yl)ethanone
Names & synonyms
5855-23-21-(2,2,4-trimethylquinolin-1(2H)-yl)ethanoneTCMDC-123928MLS0010472031-acetyl-2,2,4-trimethyl-1,2-dihydroquinolineQuinoline, 1-acetyl-1,2-dihydro-2,2,4-trimethyl-SMR0004275561-(2,2,4-trimethylquinolin-1-yl)ethanoneOpera_ID_1829CBMicro_016594ChemDiv2_004207Cambridge id 5306291
Show more names
CHEMBL581076SCHEMBL8850325SCHEMBL29522421DTXSID30351350HMS1380P05HMS2785C19CCG-5635STK870879
Database identifiers
- CAS
5855-23-2- PubChem CID
- 698299
- DTXSID
DTXSID30351350- ChEMBL
CHEMBL581076- Nikkaji
- J3.791.344H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 330
Experimental & physicochemical properties
Solubility8.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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