Basic information
- CAS
301225-63-8- Standard SMILES
CCN(CC)c1ccc(NC(=O)/C=C/c2ccccc2)cc1- InChIKey
QDCWBZUTYUSAGH-XNTDXEJSSA-N- Molecular formula
- C19H22N2O
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.17321333
Names & identifiers
- Preferred name
- (E)-N-[4-(diethylamino)phenyl]-3-phenylprop-2-enamide
- IUPAC
- (E)-N-[4-(diethylamino)phenyl]-3-phenylprop-2-enamide
- English name
- N-[4-(diethylamino)phenyl]-3-phenylacrylamide
- Molecular formula
- C19H22N2O
- Molecular weight
- 294.39
Names & synonyms
(2E)-N-[4-(diethylamino)phenyl]-3-phenylprop-2-enamide(E)-N-[4-(diethylamino)phenyl]-3-phenylprop-2-enamideSTK039839AKOS000485774301225-63-8ST036361(2E)-N-[4-(diethylamino)phenyl]-3-phenyl-2-propenamideN-[4-(diethylamino)phenyl]-3-phenylacrylamide2-Propenamide, N-[4-(diethylamino)phenyl]-3-phenyl-
Database identifiers
- CAS
301225-63-8- PubChem CID
- 708015
- EC Number
- 166-232-0
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Boiling point
- 503.6 · 503.6±50.0 °C(Predicted)
- Density
- 1.121 · 1.121±0.06 g/cm3(Predicted)
- pka
- 13.6 · 13.60±0.70(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]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, 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
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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