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Molecule
1-Naphthylamine, Hydrochloride
CAS: 552-46-5 · C10H10ClN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 552-46-5
- Molecular Formula
- C10H10ClN
- Molecular Mass
- 179.65 g/mol
Identifiers
CAS Registry Number
552-46-5
SMILES
Cl.Nc1cccc2ccccc12
InChI Key
FOKKJVHTXPJHEN-UHFFFAOYSA-N
InChI
InChI=1S/C10H9N.ClH/c11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,11H2;1H
Names and Synonyms
- 1-Naphthylamine, Hydrochloride Systematic Name
- 1-Naphthalenamine, hydrochloride (1:1) Synonym
- 1-Naphthylamine, hydrochloride Synonym
- 1-Naphthalenamine, hydrochloride Synonym
- α-Naphthylamine hydrochloride Synonym
- 1-Naphthylammonium chloride Synonym
- 1-Aminonaphthalene hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 179.65 g/mol | CAS Common Chemistry |
| 179.64999999999998 g/mol | RDKit | |
| 179.647 g/mol | chempirical lib | |
| Canonical SMILES | Cl.NC1=CC=CC=2C=CC=CC12 | CAS Common Chemistry |
| InChI | InChI=1S/C10H9N.ClH/c11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,11H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=FOKKJVHTXPJHEN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 270-271 °C | CAS Common Chemistry |
| Name | 1-Naphthylamine, hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 2.8438000000000008 | RDKit |
| 2.8438 | RDKit | |
| Molar Refractivity | 55.608400000000024 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 179.050177 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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 = 179.65 g/mol. Edit any field — others recompute live.
