Back to Search
2,3-Lutidine
CAS: 583-61-9 | C7H9N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
583-61-9
Molecular Formula:
C7H9N
Molecular Mass:
107.16 g/mol
Names and Synonyms:
2,3-Lutidine
Pyridine, 2,3-dimethyl-
2,3-Lutidine
2,3-Dimethylpyridine
NSC 2157
Identifiers:
SMILES:
Cc1cccnc1C
InChI:
InChI=1S/C7H9N/c1-6-4-3-5-8-7(6)2/h3-5H,1-2H3
Key Properties
Boiling Point
161.2 °C
CAS Common Chemistry
Melting Point
183-184 °C
CAS Common Chemistry
Density
0.94 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 | 0.94 g/cm³ | CAS Common Chemistry |
| 0.9419 g/cm3 @ Temp: 26 °C | CAS Common Chemistry | |
| Boiling Point | 161.2 °C | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC=C(C1C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H9N/c1-6-4-3-5-8-7(6)2/h3-5H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HPYNZHMRTTWQTB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 183-184 °C | CAS Common Chemistry |
| Name | 2,3-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 |
