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N-(4-Aminophenyl)-N-Methylacetamide
CAS: 119-63-1 | C9H12N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
119-63-1
Molecular Formula:
C9H12N2O
Molecular Mass:
164.21 g/mol
Names and Synonyms:
N-(4-Aminophenyl)-N-Methylacetamide
Acetamide, N-(4-aminophenyl)-N-methyl-
Acetanilide, 4′-amino-N-methyl-
N-(4-Aminophenyl)-N-methylacetamide
4-Amino-N-acetyl-N-methylaniline
4′-Amino-N-methylacetanilide
p-Amino-N-methylacetanilide
p-Amino-N-acetyl-N-methylaniline
N-acetyl-N-methyl-p-phenylenediamine
NSC 7107
Identifiers:
SMILES:
CC(=O)N(C)c1ccc(N)cc1
InChI:
InChI=1S/C9H12N2O/c1-7(12)11(2)9-5-3-8(10)4-6-9/h3-6H,10H2,1-2H3
Key Properties
Melting Point
63-65 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
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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 |
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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 | 164.21 g/mol | CAS Common Chemistry |
| 164.20799999999997 g/mol | RDKit | |
| 164.094963004 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 |
| LogP | 1.2515 | RDKit |
| Molar Refractivity | 49.93840000000002 | RDKit |
