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2-(Tributylstannyl)Pyrazine
CAS: 205371-27-3 | C16H30N2Sn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
205371-27-3
Molecular Formula:
C16H30N2Sn
Molecular Mass:
369.14 g/mol
Names and Synonyms:
2-(Tributylstannyl)Pyrazine
Pyrazine, 2-(tributylstannyl)-
Pyrazine, (tributylstannyl)-
2-(Tributylstannyl)pyrazine
Tributylstannylpyrazine
2-(Tributylstannanyl)pyrazine
Pyrazin-2-yl tributyltin
Pyrazinyltributylstannane
Tributyl(2-pyrazinyl)stannane
Identifiers:
SMILES:
C1=C[N]C=CN=1.[CH2]CCC.[CH2]CCC.[CH2]CCC.[Sn]
InChI:
InChI=1S/C4H3N2.3C4H9.Sn/c1-2-6-4-3-5-1;3*1-3-4-2;/h1-3H;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 | 369.14 g/mol | CAS Common Chemistry |
| 369.1409999999999 g/mol | RDKit | |
| 370.14309366 g/mol | RDKit | |
| Canonical SMILES | N=1C=CN=C(C1)[Sn](CCCC)(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C4H3N2.3C4H9.Sn/c1-2-6-4-3-5-1;3*1-3-4-2;/h1-3H;3*1,3-4H2,2H3; | CAS Common Chemistry |
| InChI Key | InChIKey=OVBXTKIWZAHFAC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(Tributylstannyl)pyrazine | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.46 Ų | RDKit |
| LogP | 4.739970000000005 | RDKit |
| Molar Refractivity | 89.82800000000006 | RDKit |
