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Molecule
N-Acetyl-m-phenylenediamine
CAS: 102-28-3 · C8H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 102-28-3
- Molecular Formula
- C8H10N2O
- Molecular Mass
- 150.18 g/mol
Identifiers
CAS Registry Number
102-28-3
SMILES
CC(O)=Nc1cccc(N)c1
InChI Key
PEMGGJDINLGTON-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,9H2,1H3,(H,10,11)
Names and Synonyms
- N-Acetyl-m-phenylenediamine Synonym
- m-Acetamidoaniline Synonym
- 3-Aminoacetanilide Synonym
- Acetamide, N-(3-aminophenyl)- Synonym
- Acetanilide, 3′-amino- Synonym
- N-(3-Aminophenyl)acetamide Synonym
- 3′-Aminoacetanilide Synonym
- 1-Amino-3-(acetylamino)benzene Synonym
- 3-(Acetylamino)aniline Synonym
- m-(Acetylamino)aniline Synonym
- m-Aminoacetanilide Synonym
- 3-Amino-N-acetylaniline Synonym
- N-Acetyl-1,3-diaminobenzene Synonym
- 3-Acetamidoaniline Synonym
- 1-Acetylamino-3-aminobenzene Synonym
- NSC 165576 Synonym
- 3-Acetylaminobenzeneamine Synonym
- 3-(Methylcarbonylamino)aniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.18 g/mol | CAS Common Chemistry |
| 150.18099999999995 g/mol | RDKit | |
| 150.181 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/3-Aminoacetanilide | CAS Common Chemistry |
| Canonical SMILES | O=C(NC=1C=CC=C(N)C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H10N2O/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,9H2,1H3,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=PEMGGJDINLGTON-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 70 °C | CAS Common Chemistry |
| Name | N-(3-Aminophenyl)acetamide | CAS Common Chemistry |
| 3-Aminoacetanilide | CAS Common Chemistry | |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 58.61 Ų | RDKit |
| LogP | 1.8766999999999998 | RDKit |
| 1.8767 | RDKit | |
| Molar Refractivity | 46.252200000000016 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 150.07931294 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 150.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10N2O.
