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2-Naphthalenamine, 1,2,3,4-Tetrahydro-5-Methoxy-, Hydrochloride (1:1), (2S)-
CAS: 58349-17-0 | C11H16ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
58349-17-0
Molecular Formula:
C11H16ClNO
Molecular Mass:
213.71 g/mol
Names and Synonyms:
2-Naphthalenamine, 1,2,3,4-Tetrahydro-5-Methoxy-, Hydrochloride (1:1), (2S)-
2-Naphthalenamine, 1,2,3,4-tetrahydro-5-methoxy-, hydrochloride (1:1), (2S)-
2-Naphthalenamine, 1,2,3,4-tetrahydro-5-methoxy-, hydrochloride, (S)-
2-Naphthalenamine, 1,2,3,4-tetrahydro-5-methoxy-, hydrochloride, (2S)-
(S)-2-Amino-5-methoxytetralin hydrochloride
Identifiers:
SMILES:
COc1cccc2c1CC[C@H](N)C2.Cl
InChI:
InChI=1S/C11H15NO.ClH/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11;/h2-4,9H,5-7,12H2,1H3;1H/t9-;/m0./s1
Key Properties
Melting Point
262-265 °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 | 213.71 g/mol | CAS Common Chemistry |
| 213.70799999999997 g/mol | RDKit | |
| 213.092041812 g/mol | RDKit | |
| Canonical SMILES | Cl.O(C1=CC=CC2=C1CCC(N)C2)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H15NO.ClH/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11;/h2-4,9H,5-7,12H2,1H3;1H/t9-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CGLCAQWQPIFKRX-FVGYRXGTSA-N | CAS Common Chemistry |
| Melting Point | 262-265 °C | CAS Common Chemistry |
| Name | 2-Naphthalenamine, 1,2,3,4-tetrahydro-5-methoxy-, hydrochloride (1:1), (2S)- | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.25 Ų | RDKit |
| LogP | 1.9330000000000003 | RDKit |
| Molar Refractivity | 60.24240000000003 | RDKit |
