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3-Amino-2-Naphthol
CAS: 5417-63-0 | C10H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5417-63-0
Molecular Formula:
C10H9NO
Molecular Mass:
159.19 g/mol
Names and Synonyms:
3-Amino-2-Naphthol
2-Naphthalenol, 3-amino-
2-Naphthol, 3-amino-
3-Amino-2-naphthalenol
3-Amino-2-naphthol
2-Amino-3-naphthol
2-Amino-3-hydroxynaphthalene
3-Hydroxy-2-naphthylamine
3-Amino-β-naphthol
3-Hydroxy-2-aminonaphthalene
3-Amino-2-hydroxynaphthalene
NSC 7941
Identifiers:
SMILES:
Nc1cc2ccccc2cc1O
InChI:
InChI=1S/C10H9NO/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6,12H,11H2
Key Properties
Melting Point
205 °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 | 159.19 g/mol | CAS Common Chemistry |
| 159.188 g/mol | RDKit | |
| 159.068413908 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=2C=CC=CC2C=C1N | CAS Common Chemistry |
| InChI | InChI=1S/C10H9NO/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6,12H,11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZHVPTERSBUMMHK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 205 °C | CAS Common Chemistry |
| Name | 3-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 | 2.1276000000000006 | RDKit |
| Molar Refractivity | 50.02520000000002 | RDKit |
