Basic information
- CAS
19133-00-7- Standard SMILES
CN(C)c1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1- InChIKey
WUXTYVHXWDGPIQ-LFYBBSHMSA-N- Molecular formula
- C17H16ClNO
- Average molar mass
- 285.8 g/mol
- Monoisotopic mass
- 285.0920418
Overview
See also: 4'-Chloro-4-(dimethylamino)-chalcone (annotation moved to).
Names & identifiers
- Preferred name
- (2E)-1-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
- IUPAC
- (E)-1-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
- English name
- 2-Propen-1-one,1-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]-
- Molecular formula
- C17H16ClNO
- Molecular weight
- 285.77
Names & synonyms
85460-66-819133-00-7(2E)-1-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one1-(4-Chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one1-(4-chlorophenyl)-3-(4-(dimethylamino)phenyl)prop-2-en-1-one(E)-1-(4-chlorophenyl)-3-(4-(dimethylamino)phenyl)prop-2-en-1-oneF0401-0081(E)-1-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]-2-propen-1-oneNSC54908CHEMBL224690SCHEMBL4692915DTXSID90417042
Show more names
4'-CHLORO-4-(DIMETHYLAMINO)-CHALCONE4'-CHLORO-4-(DIMETHYLAMINO)-CHALCONE2-Propen-1-one,1-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]-
4'-Chloro-4-dimethylaminochalcone(E)-1-(4-chlorophenyl)-3-(4-dimethylaminophenyl)prop-2-en-1-oneNSC-54908STK980424AKOS001484692BIM-0029392.P001ST500491764N-736
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Melting point
- 140 · 140-140.5 °C
- Boiling point
- 451.6 · 451.6±45.0 °C(Predicted)
- Density
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- pka
- 4.89 · 4.89±0.24(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H411-H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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,GHS09
- Hazard statements
- H302-H411-H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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