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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
Names and Synonyms:
N-(4-Hydroxyphenyl)Propanamide
Propanamide, N-(4-hydroxyphenyl)-
Propionanilide, 4′-hydroxy-
N-(4-Hydroxyphenyl)propanamide
4′-Hydroxypropionanilid
Parapropamol
Parapropanol
p-Propionamidophenol
N-(p-Hydroxyphenyl)propionamide
4′-Hydroxypropionanilide
4-Propionamidophenol
p-Hydroxypropionanilide
Solvodol
4-(Propionylamino)phenol
N-(4-Hydroxyphenyl)propionamide
Identifiers:
SMILES:
CCC(=O)Nc1ccc(O)cc1
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)
Key Properties
Melting Point
173 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 165.19 g/mol | CAS Common Chemistry |
| 165.19199999999998 g/mol | RDKit | |
| 165.078978592 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 | RDKit |
