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Molecule
5-Amino-2-Naphthol
CAS: 86-97-5 · C10H9NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 86-97-5
- Molecular Formula
- C10H9NO
- Molecular Mass
- 159.19 g/mol
Identifiers
CAS Registry Number
86-97-5
SMILES
Nc1cccc2cc(O)ccc12
InChI Key
FSBRKZMSECKELY-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO/c11-10-3-1-2-7-6-8(12)4-5-9(7)10/h1-6,12H,11H2
Names and Synonyms
- 5-Amino-2-Naphthol Systematic Name
- 2-Naphthalenol, 5-amino- Synonym
- 2-Naphthol, 5-amino- Synonym
- 5-Amino-2-naphthalenol Synonym
- 5-Amino-2-naphthol Synonym
- 1-Amino-6-naphthol Synonym
- 6-Hydroxy-1-naphthylamine Synonym
- NSC 4012 Synonym
- 1-Amino-6-hydroxynaphthaline Synonym
- 5-Amino-2-hydroxynaphthalene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 159.19 g/mol | CAS Common Chemistry |
| 159.188 g/mol | RDKit | |
| Canonical SMILES | OC=1C=CC=2C(N)=CC=CC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H9NO/c11-10-3-1-2-7-6-8(12)4-5-9(7)10/h1-6,12H,11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FSBRKZMSECKELY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 183-185 °C | CAS Common Chemistry |
| Name | 5-Amino-2-naphthol | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 46.25 Ų | RDKit |
| LogP | 2.1276 | RDKit |
| Molar Refractivity | 50.02520000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 159.068413908 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 = 159.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H9NO.
