N-(2-ethoxy-5-nitrophenyl)propanamide
Basic information
- CAS
132899-69-5- Standard SMILES
CCOc1ccc([N+](=O)[O-])cc1NC(=O)CC- InChIKey
IRCWXOXMYYBUJL-UHFFFAOYSA-N- Molecular formula
- C11H14N2O4
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.09535693
Names & identifiers
- Preferred name
- N-(2-ethoxy-5-nitrophenyl)propanamide
- IUPAC
- N-(2-ethoxy-5-nitrophenyl)propanamide
- English name
- N-(2-Ethoxy-5-nitrophenyl)propanamide
- Molecular formula
- C11H14N2O4
- Molecular weight
- 238.24
Names & synonyms
N-(2-ethoxy-5-nitrophenyl)propanamide132899-69-5DTXSID00876449AKOS024405988Propanamide, N-(2-ethoxy-5-nitrophenyl)-
Database identifiers
- CAS
132899-69-5- PubChem CID
- 4517833
- DTXSID
DTXSID00876449- EC Number
- 115-096-0
- Nikkaji
- J1.564.996H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
Experimental & physicochemical properties
LogP1.85
Physicochemical properties
- Melting point
- 129.5 · 129.5-130.5 °C
- Boiling point
- 410 · 410.0±30.0 °C(Predicted)
- Density
- 1.244 · 1.244±0.06 g/cm3(Predicted)
- pka
- 13.61 · 13.61±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]
P264, P270, 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%)
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Related reactions
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Compound notes
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