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Molecule
P-Acetotoluidide
CAS: 103-89-9 · C9H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 103-89-9
- Molecular Formula
- C9H11NO
- Molecular Mass
- 149.19 g/mol
Identifiers
CAS Registry Number
103-89-9
SMILES
CC(O)=Nc1ccc(C)cc1
InChI Key
YICAMJWHIUMFDI-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO/c1-7-3-5-9(6-4-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
Names and Synonyms
- P-Acetotoluidide Synonym
- Acetamide, N-(4-methylphenyl)- Synonym
- p-Acetotoluidide Synonym
- N-(4-Methylphenyl)acetamide Synonym
- p-Acetamidotoluene Synonym
- p-Methylacetanilide Synonym
- 4-(Acetylamino)toluene Synonym
- N-Acetyl-p-toluidine Synonym
- 4-Acetotoluide Synonym
- 4′-Methylacetanilide Synonym
- p-Acetotoluide Synonym
- 1-Acetamido-4-methylbenzene Synonym
- N-Acetyl-4-methylaniline Synonym
- 4-Acetamidotoluene Synonym
- p-Acetylaminotoluene Synonym
- N-p-Tolylacetamide Synonym
- NSC 7644 Synonym
- N-(p-Methylphenyl)acetamide Synonym
- 4-Methylanilino methyl ketone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 149.19 g/mol | CAS Common Chemistry |
| 149.19299999999998 g/mol | RDKit | |
| 149.193 g/mol | RDKit | |
| Density | 1.19 g/cm³ | CAS Common Chemistry |
| 1.19 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 307 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(NC1=CC=C(C=C1)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H11NO/c1-7-3-5-9(6-4-7)10-8(2)11/h3-6H,1-2H3,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=YICAMJWHIUMFDI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 152 °C | CAS Common Chemistry |
| Name | p-Acetotoluidide | 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
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| 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 = 1.190 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H11NO.
