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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 Mass:
149.24 g/mol
Names and Synonyms:
2,6-Diethylaniline
Benzenamine, 2,6-diethyl-
Aniline, 2,6-diethyl-
2,6-Diethylbenzenamine
2,6-Diethylaniline
2,6-Diethylphenylamine
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
Key Properties
Boiling Point
235.5 °C
CAS Common Chemistry
Melting Point
3.5 °C
CAS Common Chemistry
Density
96.00 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 | 149.24 g/mol | CAS Common Chemistry |
| 149.23699999999997 g/mol | RDKit | |
| 149.12044948 g/mol | RDKit | |
| Density | 96.00 g/cm³ | CAS Common Chemistry |
| 96 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 235.5 °C | CAS Common Chemistry |
| Canonical SMILES | NC=1C(=CC=CC1CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FOYHNROGBXVLLX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 3.5 °C | CAS Common Chemistry |
| Name | 2,6-Diethylaniline | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 2.3936 | RDKit |
| Molar Refractivity | 49.61040000000003 | RDKit |
