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Molecule
1,2,3,4-Tetrahydro-1-Naphthylamine
CAS: 2217-40-5 · C10H13N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2217-40-5
- Molecular Formula
- C10H13N
- Molecular Mass
- 147.22 g/mol
Identifiers
CAS Registry Number
2217-40-5
SMILES
NC1CCCc2ccccc21
InChI Key
JRZGPXSSNPTNMA-UHFFFAOYSA-N
InChI
InChI=1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7,11H2
Names and Synonyms
- 1,2,3,4-Tetrahydro-1-Naphthylamine Systematic Name
- 1-Naphthalenamine, 1,2,3,4-tetrahydro- Synonym
- 1-Naphthalenamine, 1,2,3,4-tetrahydro-, (±)- Synonym
- 1-Naphthylamine, 1,2,3,4-tetrahydro-, (±)- Synonym
- 1,2,3,4-Tetrahydro-1-naphthalenamine Synonym
- 1-Aminotetralin Synonym
- 1,2,3,4-Tetrahydro-1-naphthylamine Synonym
- 1-Amino-1,2,3,4-tetrahydronaphthalene Synonym
- 1,2,3,4-Tetrahydro-1-aminonaphthalene Synonym
- 1,2,3,4-Tetrahydronaphthalen-1-ylamine Synonym
- (±)-1-Aminotetralin Synonym
- (±)-1,2,3,4-Tetrahydro-α-naphthylamine Synonym
- (±)-1,2,3,4-Tetrahydro-1-naphthylamine Synonym
- (RS)-1-Aminotetralin Synonym
- (RS)-1,2,3,4-Tetrahydro-1-naphthylamine Synonym
- NSC 30349 Synonym
- 1-Aminotetraline 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 | |
| Canonical SMILES | NC1C=2C=CC=CC2CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7,11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JRZGPXSSNPTNMA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,2,3,4-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 | 2.0227000000000004 | RDKit |
| 2.0227 | RDKit | |
| Molar Refractivity | 46.30840000000002 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 | 114 °C @ 10 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 147.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H13N.
