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Basic information
- CAS
478040-78-7- Standard SMILES
O=C(C=CNCCc1c[nH]c2ccccc12)C(F)(F)F- InChIKey
FKGVMUPVWRQQDT-UHFFFAOYSA-N- Molecular formula
- C14H13F3N2O
- Average molar mass
- 282.265 g/mol
- Monoisotopic mass
- 282.0979977
Names & identifiers
- Preferred name
- 1,1,1-Trifluoro-4-[[2-(1H-indol-3-yl)ethyl]amino]-3-buten-2-one
- IUPAC
- 1,1,1-Trifluoro-4-{[2-(1H-indol-3-yl)ethyl]amino}but-3-en-2-one
- English name
- (E)-1,1,1-Trifluoro-4-([2-(1H-indol-3-yl)ethyl]amino)-3-buten-2-one
- Molecular formula
- C14H13F3N2O
- Molecular weight
- 282.26
Names & synonyms
3-Buten-2-one, 1,1,1-trifluoro-4-[[2-(1H-indol-3-yl)ethyl]amino]-(E)-1,1,1-Trifluoro-4-([2-(1H-indol-3-yl)ethyl]amino)-3-buten-2-one(3E)-1,1,1-trifluoro-4-{[2-(1H-indol-3-yl)ethyl]amino}but-3-en-2-one
Database identifiers
- CAS
478040-78-7- PubChem CID
- 4255752
- DTXSID
DTXSID001175153
Properties
Physicochemical properties
- Boiling point
- 392 · 392.0±42.0 °C(Predicted)
- Density
- 1.302 · 1.302±0.06 g/cm3(Predicted)
- pka
- 17.17 · 17.17±0.30(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
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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