Basic information
- CAS
19132-98-0- Standard SMILES
Cc1ccc(C(=O)C=Cc2ccc(N(C)C)cc2)cc1- InChIKey
WDFJWHWYPOZAQG-UHFFFAOYSA-N- Molecular formula
- C18H19NO
- Average molar mass
- 265.3 g/mol
- Monoisotopic mass
- 265.14666423
Names & identifiers
- Preferred name
- 3-[4-(Dimethylamino)phenyl]-1-(4-methylphenyl)prop-2-en-1-one
- IUPAC
- 3-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)prop-2-en-1-one
- English name
- 4-Dimethylamino-4'-methylchalcone
- Molecular formula
- C18H19NO
- Molecular weight
- 265.35
Names & synonyms
3-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)prop-2-en-1-one19132-98-0SCHEMBL5950050(2E)-3-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)prop-2-en-1-oneDTXSID20304613omega-(p-DIMETHYLAMINOBENZYLIDENE)-4-METHYL ACETOPHENONEAKOS0243326314-Dimethylamino-4'-methylchalcone4-Dimethylamino-4'-methylchalcone2-Propen-1-one, 3-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)-
Database identifiers
- CAS
19132-98-0- PubChem CID
- 296368
- DTXSID
DTXSID20304613- EC Number
- 118-675-6
Properties
Computed structural properties
- XLogP
- 3.6
- 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
- 331
Physicochemical properties
- Melting point
- 122 · 122-123 °C
- Boiling point
- 439.6 · 439.6±45.0 °C(Predicted)
- Density
- 1.087 · 1.087±0.06 g/cm3(Predicted)
- pka
- 4.92 · 4.92±0.24(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers1 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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