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Molecule
N-(2-Methylphenyl)Acetamide
CAS: 120-66-1 · C9H11NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 120-66-1
- Molecular Formula
- C9H11NO
- Molecular Mass
- 149.19 g/mol
Identifiers
CAS Registry Number
120-66-1
SMILES
CC(O)=Nc1ccccc1C
InChI Key
BPEXTIMJLDWDTL-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO/c1-7-5-3-4-6-9(7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
Names and Synonyms
- N-(2-Methylphenyl)Acetamide Common Name
- Acetamide, N-(2-methylphenyl)- Synonym
- o-Acetotoluidide Synonym
- N-(2-Methylphenyl)acetamide Synonym
- N-Acetyl-o-toluidine Synonym
- o-Methylacetanilide Synonym
- o-Acetyltoluidide Synonym
- 2′-Methylacetanilide Synonym
- N-o-Tolylacetamide Synonym
- o-Acetamidotoluene Synonym
- N-(o-Methylphenyl)acetamide Synonym
- NSC 3365 Synonym
- N-Acetyl-2-toluidine Synonym
- N-Acetyl-2-methylaniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 149.19 g/mol | CAS Common Chemistry |
| 149.19299999999996 g/mol | RDKit | |
| 149.193 g/mol | RDKit | |
| Density | 1.17 g/cm³ | CAS Common Chemistry |
| 1.168 g/cm3 @ 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 |
| 2.6029 | RDKit | |
| Molar Refractivity | 46.57680000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 149.084063972 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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40
20
0 ppm
| 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 = 149.19 g/mol; density = 1.170 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H11NO.
