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Molecule
N-(4-Hydroxyphenyl)Propanamide
CAS: 1693-37-4 · C9H11NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1693-37-4
- Molecular Formula
- C9H11NO2
- Molecular Mass
- 165.19 g/mol
Identifiers
CAS Registry Number
1693-37-4
SMILES
CCC(=O)Nc1ccc(O)cc1
InChI Key
SSMYTAQHMUHRSK-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2/c1-2-9(12)10-7-3-5-8(11)6-4-7/h3-6,11H,2H2,1H3,(H,10,12)
Names and Synonyms
- N-(4-Hydroxyphenyl)Propanamide Common Name
- Propanamide, N-(4-hydroxyphenyl)- Synonym
- Propionanilide, 4′-hydroxy- Synonym
- N-(4-Hydroxyphenyl)propanamide Synonym
- 4′-Hydroxypropionanilid Synonym
- Parapropamol Synonym
- Parapropanol Synonym
- p-Propionamidophenol Synonym
- N-(p-Hydroxyphenyl)propionamide Synonym
- 4′-Hydroxypropionanilide Synonym
- 4-Propionamidophenol Synonym
- p-Hydroxypropionanilide Synonym
- Solvodol Synonym
- 4-(Propionylamino)phenol Synonym
- N-(4-Hydroxyphenyl)propionamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 165.19 g/mol | CAS Common Chemistry |
| 165.19199999999998 g/mol | RDKit | |
| 165.192 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=C(O)C=C1)CC | CAS Common Chemistry |
| InChI | InChI=1S/C9H11NO2/c1-2-9(12)10-7-3-5-8(11)6-4-7/h3-6,11H,2H2,1H3,(H,10,12) | CAS Common Chemistry |
| InChI Key | InChIKey=SSMYTAQHMUHRSK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 173 °C | CAS Common Chemistry |
| Name | N-(4-Hydroxyphenyl)propanamide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 49.33 Ų | RDKit |
| LogP | 1.7407 | RDKit |
| Molar Refractivity | 47.027500000000025 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 165.078978592 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 165.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H11NO2.
