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Molecule
1-Naphthalenemethanamine, N-Methyl-, Hydrochloride (1:1)
CAS: 65473-13-4 · C12H14ClN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 65473-13-4
- Molecular Formula
- C12H14ClN
- Molecular Mass
- 207.70 g/mol
Identifiers
CAS Registry Number
65473-13-4
SMILES
CNCc1cccc2ccccc12.Cl
InChI Key
BVJVHPKFDIYQOU-UHFFFAOYSA-N
InChI
InChI=1S/C12H13N.ClH/c1-13-9-11-7-4-6-10-5-2-3-8-12(10)11;/h2-8,13H,9H2,1H3;1H
Names and Synonyms
- 1-Naphthalenemethanamine, N-Methyl-, Hydrochloride (1:1) Synonym
- 1-Naphthalenemethanamine, N-methyl-, hydrochloride (1:1) Synonym
- 1-Naphthalenemethanamine, N-methyl-, hydrochloride Synonym
- 1-Naphthalenemethylamine, N-methyl-, hydrochloride Synonym
- N-Methyl-1-naphthalenemethanamine hydrochloride Synonym
- N-Methyl-1-naphthalenemethylamine hydrochloride Synonym
- N-Methyl-1-naphthalenemethaneamine hydrochloride Synonym
- N-Methyl(1-naphthylmethyl)amine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 207.70 g/mol | CAS Common Chemistry |
| 207.70399999999998 g/mol | RDKit | |
| 207.704 g/mol | RDKit | |
| 207.701 g/mol | chempirical lib | |
| Canonical SMILES | Cl.C=1C=CC2=C(C1)C=CC=C2CNC | CAS Common Chemistry |
| InChI | InChI=1S/C12H13N.ClH/c1-13-9-11-7-4-6-10-5-2-3-8-12(10)11;/h2-8,13H,9H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=BVJVHPKFDIYQOU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 170 °C | CAS Common Chemistry |
| Name | 1-Naphthalenemethanamine, N-methyl-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 2.981000000000002 | RDKit |
| 2.981 | RDKit | |
| 3.1 | chempirical lib | |
| Molar Refractivity | 63.95970000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1667 | RDKit |
| 0.17 | chempirical lib | |
| Exact Mass | 207.081477128 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| 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.
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MW = 207.70 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H14ClN.
