2',5'-Diethoxy-4'-nitrobenzanilide
Basic information
- CAS
135-41-1- Standard SMILES
CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)c1ccccc1- InChIKey
BNPJJUAYGVZHHG-UHFFFAOYSA-N- Molecular formula
- C17H18N2O5
- Average molar mass
- 330.33 g/mol
- Monoisotopic mass
- 330.12157168
Names & identifiers
- Preferred name
- 2',5'-Diethoxy-4'-nitrobenzanilide
- IUPAC
- N-(2,5-diethoxy-4-nitrophenyl)benzamide
- English name
- 2',5'-diethoxy-4'-nitrobenzanilide
- Molecular formula
- C17H18N2O5
- Molecular weight
- 330.34
Names & synonyms
135-41-1n-(2,5-diethoxy-4-nitrophenyl)benzamide2',5'-Diethoxy-4'-nitrobenzanilideEINECS 205-189-5SCHEMBL29163517SCHEMBL30753691DTXSID70928848BNPJJUAYGVZHHG-UHFFFAOYSA-NAKOS003368961NS00041903ST45024115N-(2,5-Diethoxy-4-nitrophenyl)benzenecarboximidic acid
Show more names
Benzamide, N-(2,5-diethoxy-4-nitrophenyl)-
Database identifiers
- CAS
135-41-1- PubChem CID
- 67266
- DTXSID
DTXSID70928848- EC Number
- 205-189-5
- Nikkaji
- J30.939G
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 420
Physicochemical properties
- Melting point
- 145 °C · 145 °C
- Boiling point
- 439.6 · 439.6±45.0 °C(Predicted)
- Density
- 1.264 · 1.264±0.06 g/cm3(Predicted)
- pka
- 11.28 · 11.28±0.70(Predicted)
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Related reactions
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Compound notes
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