Back to Search
2-Amino-7-Methoxytetralin
CAS: 4003-89-8 | C11H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4003-89-8
Molecular Formula:
C11H15NO
Molecular Mass:
177.25 g/mol
Names and Synonyms:
2-Amino-7-Methoxytetralin
2-Naphthalenamine, 1,2,3,4-tetrahydro-7-methoxy-
2-Naphthylamine, 1,2,3,4-tetrahydro-7-methoxy-
1,2,3,4-Tetrahydro-7-methoxy-2-naphthalenamine
2-Amino-7-methoxytetralin
7-Methoxy-1,2,3,4-tetrahydro-2-naphthylamine
(±)-2-Amino-7-methoxytetralin
7-Methoxy-1,2,3,4-tetrahydronaphthalen-2-ylamine
7-Methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
7-Methoxy-2-aminotetralin
Identifiers:
SMILES:
COc1ccc2c(c1)CC(N)CC2
InChI:
InChI=1S/C11H15NO/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11/h3,5,7,10H,2,4,6,12H2,1H3
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 | 177.25 g/mol | CAS Common Chemistry |
| 177.24699999999996 g/mol | RDKit | |
| 177.1153641 g/mol | RDKit | |
| Canonical SMILES | O(C1=CC=C2C(=C1)CC(N)CC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H15NO/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11/h3,5,7,10H,2,4,6,12H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZNWNWWLWFCCREO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Amino-7-methoxytetralin | CAS Common Chemistry |
| Heavy Atom Count | 13 | 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 | 1.5111999999999999 | RDKit |
| Molar Refractivity | 52.99440000000003 | RDKit |
