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N-Methyl-P-Aminophenol
CAS: 150-75-4 | C7H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
150-75-4
Molecular Formula:
C7H9NO
Molecular Mass:
123.15 g/mol
Names and Synonyms:
N-Methyl-P-Aminophenol
Phenol, 4-(methylamino)-
Phenol, p-(methylamino)-
4-(Methylamino)phenol
p-(Methylamino)phenol
N-Methyl-p-aminophenol
N-Methyl-4-aminophenol
p-Hydroxy-N-methylaniline
N-Methyl-p-hydroxyaniline
N-Methyl-4-hydroxyaniline
4-Hydroxy-N-methylaniline
NSC 7311
Identifiers:
SMILES:
CNc1ccc(O)cc1
InChI:
InChI=1S/C7H9NO/c1-8-6-2-4-7(9)5-3-6/h2-5,8-9H,1H3
Key Properties
Melting Point
87 °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 | 123.15 g/mol | CAS Common Chemistry |
| 123.15499999999997 g/mol | RDKit | |
| 123.068413908 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=C(C=C1)NC | CAS Common Chemistry |
| InChI | InChI=1S/C7H9NO/c1-8-6-2-4-7(9)5-3-6/h2-5,8-9H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZFIQGRISGKSVAG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 87 °C | CAS Common Chemistry |
| Name | N-Methyl-p-aminophenol | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | 1.4339 | RDKit |
| Molar Refractivity | 37.65350000000001 | RDKit |
