Back to Search
N-(3-Amino-4-Methoxyphenyl)Acetamide
CAS: 6375-47-9 | C9H12N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6375-47-9
Molecular Formula:
C9H12N2O2
Molecular Mass:
180.21 g/mol
Names and Synonyms:
N-(3-Amino-4-Methoxyphenyl)Acetamide
Acetamide, N-(3-amino-4-methoxyphenyl)-
p-Acetanisidide, 3′-amino-
N-(3-Amino-4-methoxyphenyl)acetamide
2-Amino-4-(acetylamino)anisole
1-Methoxy-4-(N-acetylamino)-2-aminobenzene
2-Methoxy-5-(acetylamino)aniline
4-Acetamido-2-aminoanisole
5-Acetamido-2-methoxyaniline
4′-Methoxy-3′-aminoacetanilide
m-Amino-p-methoxyacetanilide
5-(Acetylamino)-2-methoxyaniline
4-(Acetylamino)-2-aminoanisole
3′-Amino-4′-methoxyacetanilide
2-Amino-4-(acetylamino)phenyl methyl ether
2-Amino-4-acetaminoanisole
2-Amino-4-acetamidoanisole
Identifiers:
SMILES:
COc1ccc(N=C(C)O)cc1N
InChI:
InChI=1S/C9H12N2O2/c1-6(12)11-7-3-4-9(13-2)8(10)5-7/h3-5H,10H2,1-2H3,(H,11,12)
Key Properties
Melting Point
108-109 °C @ Solvent: Benzene
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 | 180.21 g/mol | CAS Common Chemistry |
| 180.207 g/mol | RDKit | |
| 180.089877624 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=C(OC)C(N)=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H12N2O2/c1-6(12)11-7-3-4-9(13-2)8(10)5-7/h3-5H,10H2,1-2H3,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=SJWQCBCAGCEWCV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 108-109 °C @ Solvent: Benzene | CAS Common Chemistry |
| Name | N-(3-Amino-4-methoxyphenyl)acetamide | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 67.84 Ų | RDKit |
| LogP | 1.8853 | RDKit |
| Molar Refractivity | 52.804200000000016 | RDKit |
