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2-Aminotetralin
CAS: 2954-50-9 | C10H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2954-50-9
Molecular Formula:
C10H13N
Molecular Weight:
147.22099999999995 g/mol
Names and Synonyms:
2-Aminotetralin
2-Naphthalenamine, 1,2,3,4-tetrahydro-
2-Naphthylamine, 1,2,3,4-tetrahydro-
1,2,3,4-Tetrahydro-2-naphthalenamine
2-Aminotetralin
β-1,2,3,4-Tetrahydronaphthylamine
1,2,3,4-Tetrahydro-2-naphthylamine
2-Amino-1,2,3,4-tetrahydronaphthalene
JGC 127
(±)-2-Aminotetralin
(RS)-2-Aminotetralin
3-Amino-1,2,3,4-tetrahydronaphthalene
(1,2,3,4-Tetrahydronaphthalen-2-yl)amine
2-Aminotetraline
Tetralin-2-amine
Identifiers:
SMILES:
NC1CCc2ccccc2C1
InChI:
InChI=1S/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7,11H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 147.22099999999995 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 147.104799416 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.02 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.5026 | RDKit |
| molecular_mass | 147.22 g/mol | Legacy Database |
| cas-boiling-point | 118.5 °C @ Press: 12 Torr None | Legacy Database |
| cas-canonical-smile | NC1CC=2C=CC=CC2CC1 None | Legacy Database |
| cas-inchi | InChI=1S/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7,11H2 None | Legacy Database |
| cas-inchi-key | InChIKey=LCGFVWKNXLRFIF-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 149-151 °C None | Legacy Database |
| cas-name | 2-Aminotetralin None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 46.44240000000003 | RDKit |
