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Molecule
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
Identifiers
CAS Registry Number
6375-47-9
SMILES
COc1ccc(N=C(C)O)cc1N
InChI Key
SJWQCBCAGCEWCV-UHFFFAOYSA-N
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)
Names and Synonyms
- N-(3-Amino-4-Methoxyphenyl)Acetamide Common Name
- Acetamide, N-(3-amino-4-methoxyphenyl)- Synonym
- p-Acetanisidide, 3′-amino- Synonym
- N-(3-Amino-4-methoxyphenyl)acetamide Synonym
- 2-Amino-4-(acetylamino)anisole Synonym
- 1-Methoxy-4-(N-acetylamino)-2-aminobenzene Synonym
- 2-Methoxy-5-(acetylamino)aniline Synonym
- 4-Acetamido-2-aminoanisole Synonym
- 5-Acetamido-2-methoxyaniline Synonym
- 4′-Methoxy-3′-aminoacetanilide Synonym
- m-Amino-p-methoxyacetanilide Synonym
- 5-(Acetylamino)-2-methoxyaniline Synonym
- 4-(Acetylamino)-2-aminoanisole Synonym
- 3′-Amino-4′-methoxyacetanilide Synonym
- 2-Amino-4-(acetylamino)phenyl methyl ether Synonym
- 2-Amino-4-acetaminoanisole Synonym
- 2-Amino-4-acetamidoanisole Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 180.21 g/mol | CAS Common Chemistry |
| 180.207 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 180.089877624 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 180.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H12N2O2.
