Basic information
- CAS
6673-14-9- Standard SMILES
CN(C)c1ccc(C=CC(=O)C=Cc2ccc(N(C)C)cc2)cc1- InChIKey
JWTSVUUPJIIXTO-UHFFFAOYSA-N- Molecular formula
- C21H24N2O
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.18886339
Names & identifiers
- Preferred name
- 1,5-Bis[4-(dimethylamino)phenyl]-1,4-pentadien-3-one
- IUPAC
- 1,5-bis[4-(dimethylamino)phenyl]penta-1,4-dien-3-one
- English name
- 1,5-Bis(4-dimethylaminophenyl)-1,4-pentadien-3-one
- Molecular formula
- C21H24N2O
- Molecular weight
- 320.43
Names & synonyms
CBMicro_0092101,5-Bis[4-(dimethylamino)phenyl]-1,4-pentadien-3-oneSCHEMBL814396JWTSVUUPJIIXTO-UHFFFAOYSA-NDTXSID901352364AKOS030240008bis-(4-dimethylaminobenzylidene)acetone1,5-Bis-(4-dimethylaminophenyl)-penta-1,4-dien-3-oneTRANS DPPONSC 636680NSC 156579TIMTEC-BB SBB007957
Show more names
Bis[4-(dimethylamino)styryl] ketone4,4'-BIS(DIMETHYLAMINO)DIBENZALACETONE1,3-BIS(4-DIMETHYLAMINOBENZYLIDENE)ACETONE1,3-BIS(P-DIMETHYLAMINOBENZYLIDENE)ACETONE1,5-Bis(4-dimethylaminophenyl)-1,4-pentadien-3-one1,5-BIS[P-(DIMETHYLAMINO)PHENYL]-1,4-PENTADIEN-3-ONE
Database identifiers
- CAS
6673-14-9- PubChem CID
- 291377
- DTXSID
DTXSID901352364
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- Melting point
- 191 °C · 191 °C
- Boiling point
- 522.6 · 522.6±50.0 °C(Predicted)
- Density
- 1.109 · 1.109±0.06 g/cm3(Predicted)
- pka
- 5.13 · 5.13±0.24(Predicted)
Chemistry & industry
Suppliers5 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海群燊医药科技有限公司15316975816 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
5 records
Compound notes
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