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Molecule
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 Mass
- 147.22 g/mol
Identifiers
CAS Registry Number
2954-50-9
SMILES
NC1CCc2ccccc2C1
InChI Key
LCGFVWKNXLRFIF-UHFFFAOYSA-N
InChI
InChI=1S/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7,11H2
Names and Synonyms
- 2-Aminotetralin Synonym
- 2-Naphthalenamine, 1,2,3,4-tetrahydro- Synonym
- 2-Naphthylamine, 1,2,3,4-tetrahydro- Synonym
- 1,2,3,4-Tetrahydro-2-naphthalenamine Synonym
- 2-Aminotetralin Synonym
- β-1,2,3,4-Tetrahydronaphthylamine Synonym
- 1,2,3,4-Tetrahydro-2-naphthylamine Synonym
- 2-Amino-1,2,3,4-tetrahydronaphthalene Synonym
- JGC 127 Synonym
- (±)-2-Aminotetralin Synonym
- (RS)-2-Aminotetralin Synonym
- 3-Amino-1,2,3,4-tetrahydronaphthalene Synonym
- (1,2,3,4-Tetrahydronaphthalen-2-yl)amine Synonym
- 2-Aminotetraline Synonym
- Tetralin-2-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 147.22 g/mol | CAS Common Chemistry |
| 147.22099999999995 g/mol | RDKit | |
| 147.221 g/mol | RDKit | |
| Canonical SMILES | NC1CC=2C=CC=CC2CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7,11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LCGFVWKNXLRFIF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 149-151 °C | CAS Common Chemistry |
| Name | 2-Aminotetralin | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 1.5026 | RDKit |
| Molar Refractivity | 46.44240000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 147.104799416 g/mol | RDKit |
| Boiling Point | 118.5 °C @ 12 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 147.22 g/mol. Edit any field — others recompute live.
Related
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