Back to Search
2-Methyl-6-(Tributylstannyl)Pyridine
CAS: 259807-95-9 | C18H33NSn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
259807-95-9
Molecular Formula:
C18H33NSn
Molecular Mass:
382.18 g/mol
Names and Synonyms:
2-Methyl-6-(Tributylstannyl)Pyridine
Pyridine, 2-methyl-6-(tributylstannyl)-
2-Methyl-6-(tributylstannyl)pyridine
6-Methylpyridin-2-yltributylstannane
6-Methyl-2-(tributylstannyl)pyridine
2-Methyl-6-(tributylstannanyl)pyridine
2-(Tributylstannyl)-6-methylpyridine
Identifiers:
SMILES:
Cc1ccc[c]n1.[CH2]CCC.[CH2]CCC.[CH2]CCC.[Sn]
InChI:
InChI=1S/C6H6N.3C4H9.Sn/c1-6-4-2-3-5-7-6;3*1-3-4-2;/h2-4H,1H3;3*1,3-4H2,2H3;
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 382.18 g/mol | CAS Common Chemistry |
| 382.17999999999995 g/mol | RDKit | |
| 383.163494756 g/mol | RDKit | |
| Canonical SMILES | N=1C(=CC=CC1[Sn](CCCC)(CCCC)CCCC)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H6N.3C4H9.Sn/c1-6-4-2-3-5-7-6;3*1-3-4-2;/h2-4H,1H3;3*1,3-4H2,2H3; | CAS Common Chemistry |
| InChI Key | InChIKey=USKQYZHWJZDNCM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Methyl-6-(tributylstannyl)pyridine | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.89 Ų | RDKit |
| LogP | 5.671180000000006 | RDKit |
| Molar Refractivity | 94.35900000000007 | RDKit |
