Back to Search
Molecule
(-)-1-(2-Naphthyl)Ethylamine
CAS: 3082-62-0 · C12H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3082-62-0
- Molecular Formula
- C12H13N
- Molecular Mass
- 171.24 g/mol
Identifiers
CAS Registry Number
3082-62-0
SMILES
C[C@H](N)c1ccc2ccccc2c1
InChI Key
KHSYYLCXQKCYQX-VIFPVBQESA-N
InChI
InChI=1S/C12H13N/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-9H,13H2,1H3/t9-/m0/s1
Names and Synonyms
- (-)-1-(2-Naphthyl)Ethylamine Synonym
- 2-Naphthalenemethanamine, α-methyl-, (αS)- Synonym
- 2-Naphthalenemethylamine, α-methyl-, (S)-(-)- Synonym
- 2-Naphthalenemethanamine, α-methyl-, (S)- Synonym
- (αS)-α-Methyl-2-naphthalenemethanamine Synonym
- (-)-α-2-Naphthylethylamine Synonym
- (-)-1-(2-Naphthyl)ethylamine Synonym
- (S)-α-Methyl-2-naphthalenemethanamine Synonym
- (S)-1-(2-Naphthyl)ethylamine Synonym
- (S)-(-)-α-(2-Naphthyl)ethylamine Synonym
- (S)-(-)-1-(2-Naphthyl)ethylamine Synonym
- [(S)-1-(Naphthalen-2-yl)ethyl]amine Synonym
- (S)-1-(β-Naphthyl)ethylamine Synonym
- (S)-(-)-1-(Naphthalen-2-yl)ethylamine Synonym
- (1S)-1-(2-Naphthyl)ethanamine Synonym
- (S)-1-(Naphthalen-2-yl)ethanamine Synonym
- (1S)-1-(2-Naphthyl)ethylamine Synonym
- (1S)-1-(Naphthalen-2-yl)ethan-1-amine Synonym
- (1S)-1-Naphthalen-2-ylethanamine Synonym
- 2-Naphthalenemethanamine α-methyl-, (αS)- Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 171.24 g/mol | CAS Common Chemistry |
| 171.24299999999997 g/mol | RDKit | |
| 171.243 g/mol | RDKit | |
| Canonical SMILES | NC(C=1C=CC=2C=CC=CC2C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H13N/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-9H,13H2,1H3/t9-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=KHSYYLCXQKCYQX-VIFPVBQESA-N | CAS Common Chemistry |
| Melting Point | 150.5-151.5 °C | CAS Common Chemistry |
| Name | (-)-1-(2-Naphthyl)ethylamine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 2.8595000000000015 | RDKit |
| 2.8595 | RDKit | |
| Molar Refractivity | 56.55040000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1667 | RDKit |
| 0.17 | chempirical lib | |
| Exact Mass | 171.104799416 g/mol | RDKit |
| Boiling Point | 75-76 °C @ 0.75 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
Convert
Quick conversion
MW = 171.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H13N.
