Cinnamamide, 3-chloro-N-(2-hydroxyethyl)-
Basic information
- CAS
43196-11-8- Standard SMILES
O=C(/C=C/c1cccc(Cl)c1)NCCO- InChIKey
BFCYBKWECBNWRH-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO2
- Average molar mass
- 225.67 g/mol
- Monoisotopic mass
- 225.0556563
Names & identifiers
- Preferred name
- Cinnamamide, 3-chloro-N-(2-hydroxyethyl)-
- IUPAC
- (E)-3-(3-chlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
- English name
- N-(2-Hydroxyethyl)-3-(3-chlorophenyl)propenamide
- Molecular formula
- C11H12ClNO2
- Molecular weight
- 225.67
Names & synonyms
CINNAMAMIDE, 3-CHLORO-N-(2-HYDROXYETHYL)-43196-11-8RefChem:10816113-Chloro-N-(2-hydroxyethyl)cinnamamideBRN 22665932-Propenamide, 3-(3-chlorophenyl)-N-(2-hydroxyethyl)-CHEMBL561945AKOS008930285N-(2-Hydroxyethyl)-3-(3-chlorophenyl)propenamide
Database identifiers
- CAS
43196-11-8- PubChem CID
- 6434360
- ChEMBL
CHEMBL561945- Nikkaji
- J75.188J
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Boiling point
- 475.3 · 475.3±45.0 °C(Predicted)
- Density
- 1.262 · 1.262±0.06 g/cm3(Predicted)
- pka
- 14.26 · 14.26±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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