Basic information
- CAS
43196-23-2- Standard SMILES
N#Cc1ccc(/C=C/C(=O)NCCO)cc1- InChIKey
HJISVBXLSGXNBO-UHFFFAOYSA-N- Molecular formula
- C12H12N2O2
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.08987763
Names & identifiers
- Preferred name
- Cinnamamide, 4-cyano-N-(2-hydroxyethyl)-
- IUPAC
- (E)-3-(4-cyanophenyl)-N-(2-hydroxyethyl)prop-2-enamide
- English name
- N-(2-Hydroxyethyl)-3-(4-cyanophenyl)propenamide
- Molecular formula
- C12H12N2O2
- Molecular weight
- 216.24
Names & synonyms
43196-23-2CINNAMAMIDE, 4-CYANO-N-(2-HYDROXYETHYL)-RefChem:10816294-Cyano-N-(2-hydroxyethyl)cinnamamideBRN 22682522-Propenamide, 3-(4-cyanophenyl)-N-(2-hydroxyethyl)-AKOS008930237N-(2-Hydroxyethyl)-3-(4-cyanophenyl)propenamide
Database identifiers
- CAS
43196-23-2- PubChem CID
- 6434367
- Nikkaji
- J75.193F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Boiling point
- 526.9 · 526.9±50.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 14.16 · 14.16±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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