3-(Dimethylamino)-1-(4-methoxyphenyl)prop-2-en-1-one
Basic information
- CAS
18096-70-3- Standard SMILES
COc1ccc(C(=O)C=CN(C)C)cc1- InChIKey
FXNAUCNJLHEGGF-UHFFFAOYSA-N- Molecular formula
- C12H15NO2
- Average molar mass
- 205.25 g/mol
- Monoisotopic mass
- 205.11027872
Names & identifiers
- Preferred name
- 3-(Dimethylamino)-1-(4-methoxyphenyl)prop-2-en-1-one
- IUPAC
- 3-(dimethylamino)-1-(4-methoxyphenyl)prop-2-en-1-one
- English name
- 3-(diMethylaMino)-1-(4-Methoxyphenyl)prop-2-en-1-one
- Molecular formula
- C12H15NO2
- Molecular weight
- 205.25
Names & synonyms
3-(dimethylamino)-1-(4-methoxyphenyl)prop-2-en-1-oneDTXSID40352292RefChem:275420DTXCID1030335718096-70-33-dimethylamino-4'-methoxyacrylophenone11C-002SCHEMBL782731FXNAUCNJLHEGGF-UHFFFAOYSA-NAKOS015991210SY067576DB-356521
Show more names
ZINC00126223SMR000169481MLS0005463113-Dimethylamino-1-(4-methoxyphenyl)-2-propen-1-one,95%2-Propen-1-one, 3-(dimethylamino)-1-(4-methoxyphenyl)-(E)-3-dimethylamino-1-(4-methoxyphenyl)prop-2-en-1-one
Database identifiers
- CAS
18096-70-3- PubChem CID
- 722402
- DTXSID
DTXSID40352292- EC Number
- 690-420-6
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Melting point
- 92 · 92-95℃
- Boiling point
- 315.501 · 315.501±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.051 · 1.051±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 6.489 · 6.489±0.70(predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- HS Code
- 2922500090 · 2922500090
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- hs_code
- 2922500090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
3 records
Compound notes
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