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1-Naphthalenemethanamine, N-Methyl-, Hydrochloride (1:1)
CAS: 65473-13-4 | C12H14ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
65473-13-4
Molecular Formula:
C12H14ClN
Molecular Mass:
207.70 g/mol
Names and Synonyms:
1-Naphthalenemethanamine, N-Methyl-, Hydrochloride (1:1)
1-Naphthalenemethanamine, N-methyl-, hydrochloride (1:1)
1-Naphthalenemethanamine, N-methyl-, hydrochloride
1-Naphthalenemethylamine, N-methyl-, hydrochloride
N-Methyl-1-naphthalenemethanamine hydrochloride
N-Methyl-1-naphthalenemethylamine hydrochloride
N-Methyl-1-naphthalenemethaneamine hydrochloride
N-Methyl(1-naphthylmethyl)amine hydrochloride
Identifiers:
SMILES:
CNCc1cccc2ccccc12.Cl
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
Key Properties
Melting Point
170 °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 | 207.70 g/mol | CAS Common Chemistry |
| 207.70399999999998 g/mol | RDKit | |
| 207.081477128 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 63.95970000000004 | RDKit |
