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Molecule
Acetanilide
CAS: 103-84-4 · C8H9NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 103-84-4
- Molecular Formula
- C8H9NO
- Molecular Mass
- 135.17 g/mol
Identifiers
CAS Registry Number
103-84-4
SMILES
CC(O)=Nc1ccccc1
InChI Key
FZERHIULMFGESH-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)
Names and Synonyms
- Acetanilide Synonym
- Acetamide, N-phenyl- Synonym
- Acetanilide Synonym
- N-Phenylacetamide Synonym
- Acetanil Synonym
- Acetylaniline Synonym
- Antifebrin Synonym
- Benzenamine, N-acetyl- Synonym
- Acetamidobenzene Synonym
- Acetoanilide Synonym
- N-Acetylaniline Synonym
- Phenalgene Synonym
- Phenalgin Synonym
- N-Acetylaminobenzene Synonym
- NSC 203231 Synonym
- NSC 7636 Synonym
- 1-Acetylaminobenzene Synonym
- Anilino methyl ketone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 135.17 g/mol | CAS Common Chemistry |
| 135.16599999999997 g/mol | RDKit | |
| 135.166 g/mol | RDKit | |
| Density | 1.22 g/cm³ | CAS Common Chemistry |
| 1.2190 g/cm3 @ 15 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Acetanilide | CAS Common Chemistry |
| Canonical SMILES | O=C(NC=1C=CC=CC1)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=FZERHIULMFGESH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 114.3 °C | CAS Common Chemistry |
| Name | Acetanilide | CAS Common Chemistry |
| Heavy Atom Count | 10 | 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 | 2.2945 | RDKit |
| Molar Refractivity | 41.839800000000025 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 135.068413908 g/mol | RDKit |
| Boiling Point | 304 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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.
External Resources
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MW = 135.17 g/mol; density = 1.220 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H9NO.
