N-(4-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Basic information
- CAS
304888-52-6- Standard SMILES
CCc1ccc(NC(=O)C2COc3ccccc3O2)cc1- InChIKey
LWWVNSLAZAYGFO-UHFFFAOYSA-N- Molecular formula
- C17H17NO3
- Average molar mass
- 283.32 g/mol
- Monoisotopic mass
- 283.1208434
Names & identifiers
- Preferred name
- N-(4-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
- IUPAC
- N-(4-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
- English name
- N-(4-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
- Molecular formula
- C17H17NO3
- Molecular weight
- 283.32
Names & synonyms
N-(4-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide304888-52-6CBMicro_042379ChemDiv1_001382Oprea1_200949Oprea1_331009HMS590O18STL297066AKOS000533282AKOS016148746BIM-0042275.P001EU-0002665
Show more names
N-(4-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide1,4-Benzodioxin-2-carboxamide, N-(4-ethylphenyl)-2,3-dihydro-
ST50005275AG-690/11821556SR-01000410530SR-01000410530-12H,3H-benzo[e]1,4-dioxan-2-yl-N-(4-ethylphenyl)carboxamideN-(4-ethylphenyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide
Database identifiers
- CAS
304888-52-6- PubChem CID
- 2788366
- EC Number
- 168-864-2
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Boiling point
- 486.9 · 486.9±45.0 °C(Predicted)
- Density
- 1.233 · 1.233±0.06 g/cm3(Predicted)
- pka
- 12.84 · 12.84±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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P321, P330, P391, 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. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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