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1-(1-Naphthyl)Ethylamine
CAS: 42882-31-5 | C12H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
42882-31-5
Molecular Formula:
C12H13N
Molecular Mass:
171.24 g/mol
Names and Synonyms:
1-(1-Naphthyl)Ethylamine
1-Naphthalenemethanamine, α-methyl-
1-Naphthalenemethanamine, α-methyl-, (±)-
α-Methyl-1-naphthalenemethanamine
dl-α-(1-Naphthyl)ethylamine
(±)-1-(1-Naphthyl)ethylamine
(±)-1-(α-Naphthyl)ethylamine
(RS)-1-(1-Naphthyl)ethylamine
(RS)-1-(α-Naphthyl)ethylamine
α-Methyl-1-naphthalenemethylamine
1-(α-Naphthyl)ethylamine
1-(1-Naphthyl)ethylamine
1-Amino-1-(1-naphthyl)ethane
(1-(Naphthalen-1-yl)ethyl)amine
NSC 180601
NSC 75881
(±)-α-(1-Naphthyl)ethylamine
1-(Naphthalen-1-yl)ethanamine
1-Naphthylethylamine
1-(Naphthalen-1-yl)ethan-1-amine
Identifiers:
SMILES:
CC(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
Key Properties
Boiling Point
153 °C
CAS Common Chemistry
Density
1.06 g/cm³
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 | |
| Density | 1.06 g/cm³ | CAS Common Chemistry |
| 1.063 g/cm3 @ Temp: 19 °C | CAS Common Chemistry | |
| Boiling Point | 153 °C | 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 | CAS Common Chemistry |
| InChI Key | InChIKey=RTCUCQWIICFPOD-UHFFFAOYSA-N | 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 |
