2-(Anilinomethylene)-3-phenyl-1-indanone
Basic information
- CAS
478260-72-9- Standard SMILES
O=C1C(=CNc2ccccc2)C(c2ccccc2)c2ccccc21- InChIKey
CTAWUMWLZOIMBV-UHFFFAOYSA-N- Molecular formula
- C22H17NO
- Average molar mass
- 311.4 g/mol
Names & identifiers
- Preferred name
- 2-(Anilinomethylene)-3-phenyl-1-indanone
- IUPAC
- 2-(anilinomethylidene)-3-phenyl-3H-inden-1-one
- English name
- 2-(Anilinomethylene)-3-phenyl-1-indanone
- Molecular formula
- C22H17NO
- Molecular weight
- 311.38
Names & synonyms
2-(anilinomethylidene)-3-phenyl-3H-inden-1-one2-(anilinomethylene)-3-phenyl-1-indanoneAKOS0302455741H-Inden-1-one, 2,3-dihydro-3-phenyl-2-[(phenylamino)methylene]-
Database identifiers
- CAS
478260-72-9
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 470
Physicochemical properties
- Boiling point
- 467.7 · 467.7±45.0 °C(Predicted)
- Density
- 1.277 · 1.277±0.06 g/cm3(Predicted)
- pka
- 0.26 · 0.26±0.40(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
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Compound notes
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