Ethanone, 1-(2,3-dihydro-1H-indol-5-yl)-
Basic information
- CAS
16078-34-5- Standard SMILES
CC(=O)c1cccc2c1CCN2- InChIKey
CPDAJPWDDMXMEB-UHFFFAOYSA-N- Molecular formula
- C10H11NO
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.08406397
Names & identifiers
- Preferred name
- Ethanone, 1-(2,3-dihydro-1H-indol-5-yl)-
- IUPAC
- 1-(2,3-dihydro-1H-indol-4-yl)ethanone
- English name
- 1-(2,3-Dihydro-1H-indol-5-yl)-ethanone
- Molecular formula
- C10H11NO
- Molecular weight
- 161.2
Names & synonyms
Indoline, 5-acetyl-NSC 75568KETONE, 5-INDOLINYL METHYLEINECS 240-223-2BRN 0131199AI3-524274-21-00-03670 (Beilstein Handbook Reference)RefChem:341015Ethanone, 1-(2,3-dihydro-1H-indol-5-yl)-(9CI)16078-34-5Ethanone, 1-(2,3-dihydro-1H-indol-5-yl)-1-(2,3-dihydro-1H-indol-4-yl)ethanone
Show more names
ASISCHEM C715485-ACETYLINDOLINETIMTEC-BB SBB0104291-(5-Indolinyl)ethanoneASINEX-REAG BAS 07664732ketone,5-indolinylmethyl1-(INDOLIN-5-YL)ETHANONE5-Acetyl-2,3-dihydroindole1-(indolin-5-yl)ethan-1-one
1-(indolin-4-yl)ethanoneN3D2N89RVVSCHEMBL243488081-(2,3-dihydro-1H-indol-4-yl)ethan-1-one1779853-88-1
Database identifiers
- CAS
16078-34-5、1779853-88-1- PubChem CID
- 27674
- UNII
- N3D2N89RVV
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Melting point
- 70.5 · 70.5-71℃
- Boiling point
- 287.51 °C · 287.51°C (rough estimate)
- Density
- 1.084 · 1.0840 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- solid
- pka
- 2.35 · 2.35±0.20(Predicted)
- color
- Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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