Back to Search
2-(Methylamino)Phenol
CAS: 611-24-5 | C7H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
611-24-5
Molecular Formula:
C7H9NO
Molecular Mass:
123.15 g/mol
Names and Synonyms:
2-(Methylamino)Phenol
Phenol, 2-(methylamino)-
Phenol, o-(methylamino)-
2-(Methylamino)phenol
N-Methyl-2-aminophenol
N-Methyl-o-hydroxyaniline
o-(Methylamino)phenol
2-(N-Methylamino)phenol
NSC 245030
2-Hydroxy-N-methylaniline
Identifiers:
SMILES:
CNc1ccccc1O
InChI:
InChI=1S/C7H9NO/c1-8-6-4-2-3-5-7(6)9/h2-5,8-9H,1H3
Key Properties
Melting Point
>80 °C (decomp)
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 | OC=1C=CC=CC1NC | CAS Common Chemistry |
| InChI | InChI=1S/C7H9NO/c1-8-6-4-2-3-5-7(6)9/h2-5,8-9H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JHKKTXXMAQLGJB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >80 °C (decomp) | CAS Common Chemistry |
| Name | 2-(Methylamino)phenol | 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 | 1.4338999999999997 | RDKit |
| Molar Refractivity | 37.65350000000001 | RDKit |
