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N-(2-Hydroxy-5-Methylphenyl)Acetamide
CAS: 6375-17-3 | C9H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6375-17-3
Molecular Formula:
C9H11NO2
Molecular Mass:
165.19 g/mol
Names and Synonyms:
N-(2-Hydroxy-5-Methylphenyl)Acetamide
Acetamide, N-(2-hydroxy-5-methylphenyl)-
m-Acetotoluidide, 6′-hydroxy-
N-(2-Hydroxy-5-methylphenyl)acetamide
2′-Hydroxy-5′-methylacetanilide
4-Methyl-6-acetamidophenol
NSC 158415
2-Acetylamino-p-cresol
2-Acetamido-4-methylphenol
Identifiers:
SMILES:
CC(O)=Nc1cc(C)ccc1O
InChI:
InChI=1S/C9H11NO2/c1-6-3-4-9(12)8(5-6)10-7(2)11/h3-5,12H,1-2H3,(H,10,11)
Key Properties
Melting Point
189 °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(=CC=C1O)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H11NO2/c1-6-3-4-9(12)8(5-6)10-7(2)11/h3-5,12H,1-2H3,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=DSEQJUPGRWESKP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 189 °C | CAS Common Chemistry |
| Name | N-(2-Hydroxy-5-methylphenyl)acetamide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.82000000000001 Ų | RDKit |
| LogP | 2.308520000000001 | RDKit |
| Molar Refractivity | 48.24160000000003 | RDKit |
