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Molecule
5,6,7,8-Tetrahydro-1-Naphthylamine
CAS: 2217-41-6 · C10H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2217-41-6
- Molecular Formula
- C10H13N
- Molecular Mass
- 147.22 g/mol
Identifiers
CAS Registry Number
2217-41-6
SMILES
Nc1cccc2c1CCCC2
InChI Key
SODWJACROGQSMM-UHFFFAOYSA-N
InChI
InChI=1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6,11H2
Names and Synonyms
- 5,6,7,8-Tetrahydro-1-Naphthylamine Systematic Name
- 1-Naphthalenamine, 5,6,7,8-tetrahydro- Synonym
- 1-Naphthylamine, 5,6,7,8-tetrahydro- Synonym
- 5,6,7,8-Tetrahydro-1-naphthalenamine Synonym
- 5-Aminotetralin Synonym
- 5-Amino-1,2,3,4-tetrahydronaphthalene Synonym
- 1-Amino-5,6,7,8-tetrahydronaphthalene Synonym
- 5-Tetralinylamine Synonym
- 5,6,7,8-Tetrahydro-1-naphthylamine Synonym
- 1,2,3,4-Tetrahydro-5-naphthylamine Synonym
- 5,6,7,8-Tetrahydro-1-naphthalenylamine Synonym
- NSC 53503 Synonym
- 1,2,3,4-Tetrahydro-5-naphthalenamine Synonym
- 1,2,3,4-Tetrahydro-5-aminonaphthalene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 147.22 g/mol | CAS Common Chemistry |
| 147.22099999999998 g/mol | RDKit | |
| 147.221 g/mol | RDKit | |
| Density | 1.06 g/cm³ | CAS Common Chemistry |
| 1.0607 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 279 °C | CAS Common Chemistry |
| Canonical SMILES | NC1=CC=CC2=C1CCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6,11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=SODWJACROGQSMM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 38 °C | CAS Common Chemistry |
| Name | 5,6,7,8-Tetrahydro-1-naphthylamine | 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 | 2.1475999999999997 | RDKit |
| 2.1476 | RDKit | |
| 2.23 | chempirical lib | |
| Molar Refractivity | 47.49640000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 147.104799416 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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; density = 1.060 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H13N.
