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2,6-Lutidine
CAS: 108-48-5 | C7H9N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
108-48-5
Molecular Formula:
C7H9N
Molecular Mass:
107.16 g/mol
Names and Synonyms:
2,6-Lutidine
Pyridine, 2,6-dimethyl-
2,6-Lutidine
2,6-Dimethylpyridine
α,α′-Lutidine
α,α′-Dimethylpyridine
NSC 2155
Identifiers:
SMILES:
Cc1cccc(C)n1
InChI:
InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3
Key Properties
Boiling Point
144 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-5.8 °C
CAS Common Chemistry
Density
0.93 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 | 107.16 g/mol | CAS Common Chemistry |
| 107.156 g/mol | RDKit | |
| 107.073499288 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.9252 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2,6-Lutidine | CAS Common Chemistry |
| Boiling Point | 144 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | N=1C(=CC=CC1C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OISVCGZHLKNMSJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -5.8 °C | CAS Common Chemistry |
| Name | 2,6-Lutidine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.89 Ų | RDKit |
| LogP | 1.69844 | RDKit |
| Molar Refractivity | 33.71099999999999 | RDKit |
