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Molecule
1-Naphthalenol, 2-Amino-, Hydrochloride (1:1)
CAS: 41772-23-0 · C10H10ClNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 41772-23-0
- Molecular Formula
- C10H10ClNO
- Molecular Mass
- 195.65 g/mol
Identifiers
CAS Registry Number
41772-23-0
SMILES
Cl.Nc1ccc2ccccc2c1O
InChI Key
PEJOQASNBCUDMB-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO.ClH/c11-9-6-5-7-3-1-2-4-8(7)10(9)12;/h1-6,12H,11H2;1H
Names and Synonyms
- 1-Naphthalenol, 2-Amino-, Hydrochloride (1:1) Systematic Name
- 1-Naphthalenol, 2-amino-, hydrochloride (1:1) Synonym
- 1-Naphthalenol, 2-amino-, hydrochloride Synonym
- 1-Naphthol, 2-amino-, hydrochloride Synonym
- 2-Amino-1-naphthol hydrochloride Synonym
- 1-Hydroxy-2-naphthylamine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 195.65 g/mol | CAS Common Chemistry |
| 195.64899999999997 g/mol | RDKit | |
| 195.649 g/mol | RDKit | |
| 195.646 g/mol | chempirical lib | |
| Canonical SMILES | Cl.OC1=C(N)C=CC=2C=CC=CC21 | CAS Common Chemistry |
| InChI | InChI=1S/C10H9NO.ClH/c11-9-6-5-7-3-1-2-4-8(7)10(9)12;/h1-6,12H,11H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=PEJOQASNBCUDMB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 200-202 °C | CAS Common Chemistry |
| Name | 1-Naphthalenol, 2-amino-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 13 | 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 | 2.5494000000000008 | RDKit |
| 2.5494 | RDKit | |
| Molar Refractivity | 57.27320000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 195.04509162 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
100
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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 = 195.65 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H10ClNO.
