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4-Amino-2-Methoxyphenol
CAS: 52200-90-5 | C7H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
52200-90-5
Molecular Formula:
C7H9NO2
Molecular Mass:
139.15 g/mol
Names and Synonyms:
4-Amino-2-Methoxyphenol
Phenol, 4-amino-2-methoxy-
Guaiacol, 4-amino-
4-Amino-2-methoxyphenol
4-Aminoguaiacol
2-Methoxy-4-aminophenol
4-Hydroxy-3-methoxyaniline
NSC 405988
3-Methoxy-4-hydroxyaniline
Identifiers:
SMILES:
COc1cc(N)ccc1O
InChI:
InChI=1S/C7H9NO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,8H2,1H3
Key Properties
Melting Point
177-178 °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 | 139.15 g/mol | CAS Common Chemistry |
| 139.154 g/mol | RDKit | |
| 139.063328528 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=C(N)C=C1OC | CAS Common Chemistry |
| InChI | InChI=1S/C7H9NO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MCNBYOWWTITHIG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 177-178 °C | CAS Common Chemistry |
| Name | 4-Amino-2-methoxyphenol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 55.480000000000004 Ų | RDKit |
| LogP | 0.9829999999999999 | RDKit |
| Molar Refractivity | 39.071200000000005 | RDKit |
