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Molecule
N-(4-Aminophenyl)-N-Methylacetamide
CAS: 119-63-1 · C9H12N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 119-63-1
- Molecular Formula
- C9H12N2O
- Molecular Mass
- 164.21 g/mol
Identifiers
CAS Registry Number
119-63-1
SMILES
CC(=O)N(C)c1ccc(N)cc1
InChI Key
QFELUFGHFLYZEZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H12N2O/c1-7(12)11(2)9-5-3-8(10)4-6-9/h3-6H,10H2,1-2H3
Names and Synonyms
- N-(4-Aminophenyl)-N-Methylacetamide Common Name
- Acetamide, N-(4-aminophenyl)-N-methyl- Synonym
- Acetanilide, 4′-amino-N-methyl- Synonym
- N-(4-Aminophenyl)-N-methylacetamide Synonym
- 4-Amino-N-acetyl-N-methylaniline Synonym
- 4′-Amino-N-methylacetanilide Synonym
- p-Amino-N-methylacetanilide Synonym
- p-Amino-N-acetyl-N-methylaniline Synonym
- N-acetyl-N-methyl-p-phenylenediamine Synonym
- NSC 7107 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 164.21 g/mol | CAS Common Chemistry |
| 164.20799999999997 g/mol | RDKit | |
| 164.208 g/mol | RDKit | |
| Canonical SMILES | O=C(N(C1=CC=C(N)C=C1)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H12N2O/c1-7(12)11(2)9-5-3-8(10)4-6-9/h3-6H,10H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QFELUFGHFLYZEZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 63-65 °C | CAS Common Chemistry |
| Name | N-(4-Aminophenyl)-N-methylacetamide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.33 Ų | RDKit |
| 46.1 Ų | chempirical lib | |
| LogP | 1.2515 | RDKit |
| 1.13 | chempirical lib | |
| Molar Refractivity | 49.93840000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 164.094963004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 164.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H12N2O.
