3-(Dimethylamino)-2-methylpropiophenone
Basic information
- CAS
91-03-2- Standard SMILES
CC(CN(C)C)C(=O)c1ccccc1- InChIKey
IBKTXALXQACSRE-UHFFFAOYSA-N- Molecular formula
- C12H17NO
- Average molar mass
- 191.27 g/mol
- Monoisotopic mass
- 191.13101417
Names & identifiers
- Preferred name
- 3-(Dimethylamino)-2-methylpropiophenone
- IUPAC
- 3-(dimethylamino)-2-methyl-1-phenylpropan-1-one
- English name
- 2-benzoylpropyldimethylammonium chloride
- Molecular formula
- C12H17NO
- Molecular weight
- 191.27
Names & synonyms
91-03-23-Dimethylamino-2-Methylpropiophenone3-(dimethylamino)-2-methyl-1-phenylpropan-1-one3-(Dimethylamino)-2-methylpropiophenone1-Propanone, 3-(dimethylamino)-2-methyl-1-phenyl-3-(Dimethylamino)-2-methyl-1-phenyl-1-propanone2-Benzoylpropyldimethylammonium chloride2R925406YHNSC-163946NSC327727Propiophenone, 3-(dimethylamino)-2-methyl-UNII-2R925406YH
Show more names
NSC 1639462-Methyl-3-(diMethylaMino)propiophenone1-DiMethylaMino-2-Methyl-3-phenylpropan-3-one[2-(Dimethylamino)-1-methylethyl]phenyl ketone3-DIMETHYLAMINO-2-METHYLPROPIOPHENONE(WXG03162)1-Phenyl-2-methyl-3-(dimethylamino)-1-propanone(2RS)-3-(Dimethylamino)-2-methyl-1-phenylpropan-1-one
EINECS 202-035-9AI3-50558beta-DIMETHYLAMINO-alpha-METHYL PROPIOPHENONECBDivE_002327SCHEMBL6726553CHEMBL2010437IBKTXALXQACSRE-UHFFFAOYSA-NDTXSID301241975
Database identifiers
- CAS
91-03-2- PubChem CID
- 99013
- DTXSID
DTXSID301241975- ChEMBL
CHEMBL2010437- UNII
- 2R925406YH
- EC Number
- 202-035-9
- Nikkaji
- J182.074E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Boiling point
- 80 · 80-82 °C(Press: 1 Torr)
- Density
- 0.982 · 0.982±0.06 g/cm3(Predicted)
- pka
- 8.87 · 8.87±0.28(Predicted)
- FDA UNII
- 2 R925406YH · 2R925406YH
Chemistry & industry
Applications
UsesIntermediate in the preparation of analgesics.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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