Ethyl 4-[(E)-ethylideneamino]benzoate
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Basic information
- CAS
99854-86-1- Standard SMILES
CC=Nc1ccc(C(=O)OCC)cc1- InChIKey
AKVDWYXMLNSQGQ-UHFFFAOYSA-N- Molecular formula
- C11H13NO2
- Average molar mass
- 191.23 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-[(E)-ethylideneamino]benzoate
- IUPAC
- ethyl 4-(ethylideneamino)benzoate
- English name
- Benzoic acid, p-ethylideneamino-, ethyl ester (6CI)
- Molecular formula
- C11H13NO2
- Molecular weight
- 191.23
Names & synonyms
Ethyl 4-[(E)-ethylideneamino]benzoate99854-86-1ethyl 4-(ethylideneamino)benzoateBenzoic acid, 4-(ethylideneamino)-, ethyl esterBenzoic acid, p-ethylideneamino-, ethyl ester (6CI)
Database identifiers
- CAS
99854-86-1
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Boiling point
- 306.8 · 306.8±34.0 °C(Predicted)
- Density
- 1.01 · 1.01±0.1 g/cm3(Predicted)
- pka
- 3.72 · 3.72±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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