Back to Search
2,6-Diethylaniline
CAS: 579-66-8 | C10H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
579-66-8
Molecular Formula:
C10H15N
Molecular Weight:
149.23699999999997 g/mol
Names and Synonyms:
2,6-Diethylaniline
2,6-Diethylphenylamine
2,6-Diethylaniline
2,6-Diethylbenzenamine
Aniline, 2,6-diethyl-
Benzenamine, 2,6-diethyl-
Identifiers:
SMILES:
CCc1cccc(CC)c1N
InChI:
InChI=1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 149.24 g/mol | Legacy Database |
| density | 96.00 g/cm³ | Legacy Database |
| cas-boiling-point | 235.5 °C None | Legacy Database |
| cas-canonical-smile | NC=1C(=CC=CC1CC)CC None | Legacy Database |
| cas-density | 96 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=FOYHNROGBXVLLX-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 3.5 °C None | Legacy Database |
| cas-name | 2,6-Diethylaniline None | Legacy Database |
| LogP | 2.3936 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 149.23699999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 149.12044948 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.02 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 49.61040000000003 | RDKit |
