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(+)-1-(1-Naphthyl)Ethylamine
CAS: 3886-70-2 | C12H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3886-70-2
Molecular Formula:
C12H13N
Molecular Mass:
171.24 g/mol
Names and Synonyms:
(+)-1-(1-Naphthyl)Ethylamine
1-Naphthalenemethanamine, α-methyl-, (αR)-
1-Naphthalenemethylamine, α-methyl-, (R)-(+)-
1-Naphthalenemethanamine, α-methyl-, (R)-
(αR)-α-Methyl-1-naphthalenemethanamine
(+)-α-(1-Naphthyl)ethylamine
d-1-(1-Naphthyl)ethylamine
(R)-(+)-α-(1-Naphthyl)ethylamine
(+)-1-(1-Naphthyl)ethylamine
(+)-1-(α-Naphthyl)ethylamine
(R)-α-(1-Naphthyl)ethylamine
(R)-1-(1-Naphthyl)ethylamine
(R)-1-(α-Naphthyl)ethylamine
(R)-(+)-1-(1-Naphthyl)ethylamine
(R)-(+)-1-(α-Naphthyl)ethylamine
(R)-1-(1-Naphthyl)ethanamine
(R)-1-Naphthylethylamine
(R)-α-Methyl-1-naphthalenemethanamine
(R)-(+)-1-(1-Naphthyl)ethylamine
[(R)-1-(Naphthalen-1-yl)ethyl]amine
(1R)-1-(1-Naphthyl)ethanamine
(R)-1-(Naphthalen-1-yl)ethanamine
(+)-[(R)-1-(Naphthalen-1-yl)ethyl]amine
(R)-1-(1-Naphthalenyl)ethylamine
(R)-1-(Naphthalen-1-yl)ethan-1-amine
(1R)-1-(Naphthalen-1-yl)ethan-1-amine
(1R)-1-Naphthalen-1-ylethanamine
Identifiers:
SMILES:
C[C@@H](N)c1cccc2ccccc12
InChI:
InChI=1S/C12H13N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,13H2,1H3/t9-/m1/s1
Key Properties
Boiling Point
110-115 °C @ Press: 0.1 Torr
CAS Common Chemistry
Melting Point
135-136 °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 | 110-115 °C @ Press: 0.1 Torr | CAS Common Chemistry |
| Canonical SMILES | NC(C1=CC=CC=2C=CC=CC21)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H13N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,13H2,1H3/t9-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=RTCUCQWIICFPOD-SECBINFHSA-N | CAS Common Chemistry |
| Melting Point | 135-136 °C | CAS Common Chemistry |
| Name | (+)-1-(1-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 | 56.550400000000025 | RDKit |
