2-((4-(Dimethylamino)phenyl)methylene)-1H-indene-1,3(2H)-dione
Basic information
- CAS
21889-13-4- Standard SMILES
CN(C)c1ccc(C=C2C(=O)c3ccccc3C2=O)cc1- InChIKey
ZIOQBZBVYRPMRT-UHFFFAOYSA-N- Molecular formula
- C18H15NO2
- Average molar mass
- 277.3 g/mol
- Monoisotopic mass
- 277.11027872
Names & identifiers
- Preferred name
- 2-((4-(Dimethylamino)phenyl)methylene)-1H-indene-1,3(2H)-dione
- IUPAC
- 2-[[4-(dimethylamino)phenyl]methylidene]indene-1,3-dione
- English name
- 1,3-Indandione, 2- (4-dimethylaminophenylmethylene)
- Molecular formula
- C18H15NO2
- Molecular weight
- 277.32
Names & synonyms
21889-13-46DK9PDF575NSC-86434NSC-636618N,N-dimethylaminobenzylidene-1,3-indandione2-[[4-(dimethylamino)phenyl]methylene]-1H-Indene-1,3(2H)-dione1H-Indene-1,3(2H)-dione, 2-((4-(dimethylamino)phenyl)methylene)-2-((4-(DIMETHYLAMINO)PHENYL)METHYLENE)-1H-INDENE-1,3(2H)-DIONERefChem:10605211,3-Indandione, 2-(p-dimethylaminobenzylidene)-2-(4-(Dimethylamino)benzylidene)-1H-indene-1,3(2H)-dione2-[4-(dimethylamino)benzylidene]-1H-indene-1,3(2H)-dione
Show more names
1,3-Indandione, 2- (4-dimethylaminophenylmethylene)2-[4-(Dimethylamino)benzylidene]-2H-indene-1,3-dione1H-Indene-1,3(2H)-dione, 2-[[4-(dimethylamino)phenyl]methylene]-
2-[4-(Dimethylamino)benzylidene]-1,3-indandione2-{[4-(dimethylamino)phenyl]methylidene}-2,3-dihydro-1H-indene-1,3-dione2-[[4-(dimethylamino)phenyl]methylidene]indene-1,3-dioneNSC636618F1135-00372-((4-(DIMETHYLAMINO)PHENYL)METHYLENE)INDANE-1,3-DIONE2-{[4-(Dimethylamino)phenyl]methylidene}-1H-indene-1,3(2H)-dione2-(4-(DIMETHYLAMINO)BENZYLIDENE)-1,3-INDANDIONE
Database identifiers
- CAS
21889-13-4- PubChem CID
- 89546
- DTXSID
DTXSID20176291- ChEMBL
CHEMBL1895841- UNII
- 6DK9PDF575
- Nikkaji
- J40.991J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 432
Physicochemical properties
- Melting point
- 199 · 199-200 °C(Solv: acetic acid (64-19-7))
- Boiling point
- 492.3 · 492.3±45.0 °C(Predicted)
- Density
- 1.276 · 1.276±0.06 g/cm3(Predicted)
- pka
- 3.62 · 3.62±0.24(Predicted)
- FDA UNII
- 6 DK9PDF575 · 6DK9PDF575
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Compound notes
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