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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 Weight:
149.19299999999996 g/mol
Names and Synonyms:
N-(2-Methylphenyl)Acetamide
N-Acetyl-2-methylaniline
N-Acetyl-2-toluidine
NSC 3365
N-(o-Methylphenyl)acetamide
o-Acetamidotoluene
N-o-Tolylacetamide
2′-Methylacetanilide
o-Acetyltoluidide
o-Methylacetanilide
N-Acetyl-o-toluidine
N-(2-Methylphenyl)acetamide
o-Acetotoluidide
Acetamide, N-(2-methylphenyl)-
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)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 149.19 g/mol | Legacy Database |
| density | 1.17 g/cm³ | Legacy Database |
| cas-boiling-point | 296 °C None | Legacy Database |
| cas-canonical-smile | O=C(NC=1C=CC=CC1C)C None | Legacy Database |
| cas-density | 1.168 g/cm3 @ Temp: 15 °C None | Legacy Database |
| cas-inchi | InChI=1S/C9H11NO/c1-7-5-3-4-6-9(7)10-8(2)11/h3-6H,1-2H3,(H,10,11) None | Legacy Database |
| cas-inchi-key | InChIKey=BPEXTIMJLDWDTL-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 110 °C None | Legacy Database |
| cas-name | N-(2-Methylphenyl)acetamide None | Legacy Database |
| LogP | 2.602920000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 149.19299999999996 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 149.084063972 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 32.59 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 46.57680000000003 | RDKit |
