3-(Dimethylamino)-1-(4-hydroxyphenyl)propan-1-one
Basic information
- CAS
35076-36-9- Standard SMILES
CN(C)CCC(=O)c1ccc(O)cc1- InChIKey
PWLQUVMOVTVBEH-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Names & identifiers
- Preferred name
- 3-(Dimethylamino)-1-(4-hydroxyphenyl)propan-1-one
- IUPAC
- 3-(dimethylamino)-1-(4-hydroxyphenyl)propan-1-one
- English name
- 3-(dimethylamino)-1-(4-hydroxyphenyl)propan-1-one
- Molecular formula
- C11H15NO2
- Molecular weight
- 193.24
Names & synonyms
3-(dimethylamino)-1-(4-hydroxyphenyl)propan-1-one35076-36-9MFCD01461072CBMicro_021277Oprea1_683285CBDivE_008092SCHEMBL11270329DTXSID80276786STK759203AKOS005615578SY288308DB-330817
Show more names
1-Propanone, 3-(dimethylamino)-1-(4-hydroxyphenyl)-
3-(Dimethylamino)-1-(4-hydroxyphenyl)-1-propanone
Database identifiers
- CAS
35076-36-9- PubChem CID
- 200478
- DTXSID
DTXSID80276786- Nikkaji
- J503.302K
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Melting point
- 192 °C · 192 °C
- Boiling point
- 335.3 · 335.3±22.0 °C(Predicted)
- Density
- 1.096 · 1.096±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 7.61 · 7.61±0.15(Predicted)
- Comptox DTXSID
- 80276786 · DTXSID80276786
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…