BENZAMIDE, o-ALLYLOXY-N-(beta-HYDROXYETHYL)-
Basic information
- CAS
63887-17-2- Standard SMILES
C=CCOc1ccccc1C(=O)NCCO- InChIKey
PPLORUTUJXLHEI-UHFFFAOYSA-N- Molecular formula
- C12H15NO3
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.10519334
Names & identifiers
- Preferred name
- BENZAMIDE, o-ALLYLOXY-N-(beta-HYDROXYETHYL)-
- IUPAC
- N-(2-hydroxyethyl)-2-prop-2-enoxybenzamide
- English name
- o-(Allyloxy)-N-(2-hydroxyethyl)benzamide
- Molecular formula
- C12H15NO3
- Molecular weight
- 221.25
Names & synonyms
63887-17-2BENZAMIDE, o-ALLYLOXY-N-(beta-HYDROXYETHYL)-N-(2-hydroxyethyl)-2-prop-2-enoxybenzamide2-(Allyloxy)-N-(2-hydroxyethyl)benzamideo-(Allyloxy)-N-(2-hydroxyethyl)benzamideN-(2-hydroxyethyl)-2-(prop-2-en-1-yloxy)benzamideBRN 3291283o-Allyloxy-N-(beta-hydroxyethyl)benzamideDTXSID00213496A1-05029N-(2-Hydroxyethyl)-2-[(prop-2-en-1-yl)oxy]benzamideBenzamide, N-(2-hydroxyethyl)-2-(2-propen-1-yloxy)-
Database identifiers
- CAS
63887-17-2- PubChem CID
- 45029
- DTXSID
DTXSID00213496- Nikkaji
- J148.994A
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Boiling point
- 362.31 °C · 362.31°C (rough estimate)
- Density
- 1.1514 · 1.1514 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- pka
- 14.06 · 14.06±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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