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Molecule
2-Amino-4-Methoxyphenol
CAS: 20734-76-3 · C7H9NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 20734-76-3
- Molecular Formula
- C7H9NO2
- Molecular Mass
- 139.15 g/mol
Identifiers
CAS Registry Number
20734-76-3
SMILES
COc1ccc(O)c(N)c1
InChI Key
TUADYTFWZPZZTP-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO2/c1-10-5-2-3-7(9)6(8)4-5/h2-4,9H,8H2,1H3
Names and Synonyms
- 2-Amino-4-Methoxyphenol Synonym
- Phenol, 2-amino-4-methoxy- Synonym
- 2-Amino-4-methoxyphenol Synonym
- 1-Amino-2-hydroxy-5-methoxybenzene Synonym
- 4-Methoxy-2-aminophenol Synonym
- 2-Hydroxy-5-methoxyaniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 139.15 g/mol | CAS Common Chemistry |
| 139.154 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=C(OC)C=C1N | CAS Common Chemistry |
| InChI | InChI=1S/C7H9NO2/c1-10-5-2-3-7(9)6(8)4-5/h2-4,9H,8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=TUADYTFWZPZZTP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 124 °C | CAS Common Chemistry |
| Name | 2-Amino-4-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 |
| 55.48 Ų | RDKit | |
| LogP | 0.9830000000000001 | RDKit |
| 0.983 | RDKit | |
| Molar Refractivity | 39.071200000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 139.063328528 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 139.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H9NO2.
