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N-(2-Methylphenyl)Acetamide
CAS: 120-66-1 | C9H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
120-66-1
Molecular Formula:
C9H11NO
Molecular Mass:
149.19 g/mol
Names and Synonyms:
N-(2-Methylphenyl)Acetamide
Acetamide, N-(2-methylphenyl)-
o-Acetotoluidide
N-(2-Methylphenyl)acetamide
N-Acetyl-o-toluidine
o-Methylacetanilide
o-Acetyltoluidide
2′-Methylacetanilide
N-o-Tolylacetamide
o-Acetamidotoluene
N-(o-Methylphenyl)acetamide
NSC 3365
N-Acetyl-2-toluidine
N-Acetyl-2-methylaniline
Identifiers:
SMILES:
CC(O)=Nc1ccccc1C
InChI:
InChI=1S/C9H11NO/c1-7-5-3-4-6-9(7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
Key Properties
Boiling Point
296 °C
CAS Common Chemistry
Melting Point
110 °C
CAS Common Chemistry
Density
1.17 g/cm³
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 | 149.19 g/mol | CAS Common Chemistry |
| 149.19299999999996 g/mol | RDKit | |
| 149.084063972 g/mol | RDKit | |
| Density | 1.17 g/cm³ | CAS Common Chemistry |
| 1.168 g/cm3 @ Temp: 15 °C | CAS Common Chemistry | |
| Boiling Point | 296 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(NC=1C=CC=CC1C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H11NO/c1-7-5-3-4-6-9(7)10-8(2)11/h3-6H,1-2H3,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=BPEXTIMJLDWDTL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 110 °C | CAS Common Chemistry |
| Name | N-(2-Methylphenyl)acetamide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 2.602920000000001 | RDKit |
| Molar Refractivity | 46.57680000000003 | RDKit |
