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Molecule
5-Amino-1-Naphthol
CAS: 83-55-6 · C10H9NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 83-55-6
- Molecular Formula
- C10H9NO
- Molecular Mass
- 159.19 g/mol
Identifiers
CAS Registry Number
83-55-6
SMILES
Nc1cccc2c(O)cccc12
InChI Key
ZBIBQNVRTVLOHQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1-6,12H,11H2
Names and Synonyms
- 5-Amino-1-Naphthol Synonym
- 1-Naphthalenol, 5-amino- Synonym
- 1-Naphthol, 5-amino- Synonym
- 5-Amino-1-naphthalenol Synonym
- C.I. 76650 Synonym
- 5-Amino-1-naphthol Synonym
- 1-Amino-5-naphthol Synonym
- 5-Hydroxy-1-naphthylamine Synonym
- 1-Amino-5-hydroxynaphthalene Synonym
- 5-Amino-α-naphthol Synonym
- NSC 1499 Synonym
- 5-Hydroxy-1-naphthalenamine 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 | OC1=CC=CC=2C(N)=CC=CC12 | CAS Common Chemistry |
| InChI | InChI=1S/C10H9NO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1-6,12H,11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZBIBQNVRTVLOHQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 192 °C @ Solvent: Water | CAS Common Chemistry |
| Name | 5-Amino-1-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
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6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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.
