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(-)-1-(2-Naphthyl)Ethylamine
CAS: 3082-62-0 | C12H13N
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
3082-62-0
Molecular Formula:
C12H13N
Molecular Mass:
171.24 g/mol
Names and Synonyms:
(-)-1-(2-Naphthyl)Ethylamine
2-Naphthalenemethanamine, α-methyl-, (αS)-
2-Naphthalenemethylamine, α-methyl-, (S)-(-)-
2-Naphthalenemethanamine, α-methyl-, (S)-
(αS)-α-Methyl-2-naphthalenemethanamine
(-)-α-2-Naphthylethylamine
(-)-1-(2-Naphthyl)ethylamine
(S)-α-Methyl-2-naphthalenemethanamine
(S)-1-(2-Naphthyl)ethylamine
(S)-(-)-α-(2-Naphthyl)ethylamine
(S)-(-)-1-(2-Naphthyl)ethylamine
[(S)-1-(Naphthalen-2-yl)ethyl]amine
(S)-1-(β-Naphthyl)ethylamine
(S)-(-)-1-(Naphthalen-2-yl)ethylamine
(1S)-1-(2-Naphthyl)ethanamine
(S)-1-(Naphthalen-2-yl)ethanamine
(1S)-1-(2-Naphthyl)ethylamine
(1S)-1-(Naphthalen-2-yl)ethan-1-amine
(1S)-1-Naphthalen-2-ylethanamine
2-Naphthalenemethanamine α-methyl-, (αS)-
Identifiers:
SMILES:
C[C@H](N)c1ccc2ccccc2c1
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
Key Properties
Boiling Point
75-76 °C @ Press: 0.75 Torr
CAS Common Chemistry
Melting Point
150.5-151.5 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 171.24 g/mol | CAS Common Chemistry |
| 171.24299999999997 g/mol | RDKit | |
| 171.104799416 g/mol | RDKit | |
| Boiling Point | 75-76 °C @ Press: 0.75 Torr | CAS Common Chemistry |
| 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 |
| Molar Refractivity | 56.55040000000003 | RDKit |
