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Molecule
N-Methylacetanilide
CAS: 579-10-2 · C9H11NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 579-10-2
- Molecular Formula
- C9H11NO
- Molecular Mass
- 149.19 g/mol
Identifiers
CAS Registry Number
579-10-2
SMILES
CC(=O)N(C)c1ccccc1
InChI Key
LMTGCJANOQOGPI-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO/c1-8(11)10(2)9-6-4-3-5-7-9/h3-7H,1-2H3
Names and Synonyms
- N-Methylacetanilide Common Name
- Acetamide, N-methyl-N-phenyl- Synonym
- Acetanilide, N-methyl- Synonym
- N-Methyl-N-phenylacetamide Synonym
- Acetomethylanilide Synonym
- N-Acetyl-N-methylaniline Synonym
- Exalgin Synonym
- N-Methylacetanilide Synonym
- Oxalgin Synonym
- Phenylmethylacetamide Synonym
- Methylantifebrin Synonym
- Methylazol Synonym
- NSC 2140 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 | |
| Boiling Point | 256 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(N(C=1C=CC=CC1)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H11NO/c1-8(11)10(2)9-6-4-3-5-7-9/h3-7H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LMTGCJANOQOGPI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 103 °C | CAS Common Chemistry |
| Name | N-Methylacetanilide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| 20.31 Ų | RDKit | |
| 20.08 Ų | chempirical lib | |
| LogP | 1.6693 | RDKit |
| Molar Refractivity | 45.52600000000003 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...
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200 ppm
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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. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H11NO.
