Basic information
- CAS
6342-97-8- Standard SMILES
CN(C)c1ccc(/C=C/C(=O)c2ccccc2O)cc1- InChIKey
NSBRMLGDDBWATL-UHFFFAOYSA-N- Molecular formula
- C17H17NO2
- Average molar mass
- 267.32 g/mol
Names & identifiers
- Preferred name
- 3-(4-(Dimethylamino)phenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
- IUPAC
- (E)-3-[4-(dimethylamino)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one
- English name
- 2'-Hydroxy-4-(dimethylamino)chalcone
- Molecular formula
- C17H17NO2
- Molecular weight
- 267.32
Names & synonyms
65786-13-23-[4-(dimethylamino)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-oneNSC-46679XY4LKW6P4Z3-(4-(Dimethylamino)phenyl)-1-(2-hydroxyphenyl)prop-2-en-1-oneRefChem:1066768(2E)-3-[4-(dimethylamino)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one6342-97-8(E)-3-(4-(dimethylamino)phenyl)-1-(2-hydroxyphenyl)prop-2-en-1-oneMFCD00102441(E)-3-[4-(dimethylamino)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one2-Propen-1-one, 3-[4-(dimethylamino)phenyl]-1-(2-hydroxyphenyl)-
Show more names
2'-Hydroxy-4-(dimethylamino)chalcone2-Propen-1-one, 3-(4-(dimethylamino)phenyl)-1-(2-hydroxyphenyl)-4-(dimethylamino)-2'-hydroxychalconeNSC46679NSC 466793-[4-(Dimethylamino)phenyl]-1-(2-hydroxyphenyl)-2-propen-1-oneMLS000681663CHEMBL242946
Database identifiers
- CAS
6342-97-8、65786-13-2- PubChem CID
- 5331296
- ChEMBL
CHEMBL242946
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 343
Physicochemical properties
- Melting point
- 172 · 172-173 °C(Solv: ethanol (64-17-5))
- Boiling point
- 460.4 · 460.4±45.0 °C(Predicted)
- Density
- 1.181 · 1.181±0.06 g/cm3(Predicted)
- pka
- 7.74 · 7.74±0.30(Predicted)
Chemistry & industry
Suppliers8 total
上海鑫凯化学科技有限公司021-58930698 15921516558 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
成都圣美凯生物科技有限公司028-85157043 15882256948 · [email protected]
江西元兴生物医药科技有限公司13642377995 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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