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3-Aminoacetanilide
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
Names and Synonyms:
3-Aminoacetanilide
Acetamide, N-(3-aminophenyl)-
Acetanilide, 3′-amino-
N-(3-Aminophenyl)acetamide
3′-Aminoacetanilide
1-Amino-3-(acetylamino)benzene
3-(Acetylamino)aniline
m-(Acetylamino)aniline
m-Aminoacetanilide
3-Amino-N-acetylaniline
N-Acetyl-m-phenylenediamine
m-Acetamidoaniline
N-Acetyl-1,3-diaminobenzene
3-Acetamidoaniline
1-Acetylamino-3-aminobenzene
NSC 165576
3-Acetylaminobenzeneamine
3-(Methylcarbonylamino)aniline
Identifiers:
SMILES:
CC(O)=Nc1cccc(N)c1
InChI:
InChI=1S/C8H10N2O/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,9H2,1H3,(H,10,11)
Key Properties
Melting Point
70 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.18 g/mol | CAS Common Chemistry |
| 150.18099999999995 g/mol | RDKit | |
| 150.07931294 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 |
| Molar Refractivity | 46.252200000000016 | RDKit |
