Basic information
- CAS
241488-13-1- Standard SMILES
CN(C)C=CC(=O)c1ccc(Oc2ccccc2)cc1- InChIKey
NTMJZPOGRHQRGY-UHFFFAOYSA-N- Molecular formula
- C17H17NO2
- Average molar mass
- 267.32 g/mol
- Monoisotopic mass
- 267.12592879
Names & identifiers
- Preferred name
- 3-(Dimethylamino)-1-(4-phenoxyphenyl)prop-2-en-1-one
- IUPAC
- 3-(dimethylamino)-1-(4-phenoxyphenyl)prop-2-en-1-one
- English name
- 3-(Dimethylamino)-1-(4-phenoxyphenyl)-2-propen-1-one
- Molecular formula
- C17H17NO2
- Molecular weight
- 267.32
Names & synonyms
3-(dimethylamino)-1-(4-phenoxyphenyl)prop-2-en-1-oneDTXSID301218380AKOS0302558143-(Dimethylamino)-1-(4-phenoxyphenyl)-2-propen-1-one2-Propen-1-one, 3-(dimethylamino)-1-(4-phenoxyphenyl)-(E)-3-(dimethylamino)-1-(4-phenoxyphenyl)prop-2-en-1-one
Database identifiers
- CAS
241488-13-1- PubChem CID
- 2806136
- DTXSID
DTXSID301218380
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Boiling point
- 388.5 · 388.5±42.0 °C(Predicted)
- Density
- 1.104 · 1.104±0.06 g/cm3(Predicted)
- pka
- 6.41 · 6.41±0.70(Predicted)
- 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
Chemistry & industry
Suppliers2 total
上海任跃化学科技有限公司021-62219190; 18321139117 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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