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Molecule
2-(Tributylstannyl)Pyrazine
CAS: 205371-27-3 · C16H30N2Sn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 205371-27-3
- Molecular Formula
- C16H30N2Sn
- Molecular Mass
- 369.1409999999999 g/mol
Identifiers
CAS Registry Number
205371-27-3
SMILES
C1=C[N]C=CN=1.[CH2]CCC.[CH2]CCC.[CH2]CCC.[Sn]
InChI Key
OVBXTKIWZAHFAC-UHFFFAOYSA-N
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;
Names and Synonyms
- 2-(Tributylstannyl)Pyrazine Synonym
- Pyrazine, 2-(tributylstannyl)- Synonym
- Pyrazine, (tributylstannyl)- Synonym
- 2-(Tributylstannyl)pyrazine Synonym
- Tributylstannylpyrazine Synonym
- 2-(Tributylstannanyl)pyrazine Synonym
- Pyrazin-2-yl tributyltin Synonym
- Pyrazinyltributylstannane Synonym
- Tributyl(2-pyrazinyl)stannane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| 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 |
| Molecular Mass | 369.1409999999999 g/mol | RDKit |
| 370.14309366 g/mol | RDKit | |
| 369.141 g/mol | RDKit | |
| 372.164 g/mol | chempirical lib | |
| 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 |
| 24.39 Ų | chempirical lib | |
| LogP | 4.739970000000005 | RDKit |
| 4.74 | RDKit | |
| 5.18 | chempirical lib | |
| Molar Refractivity | 89.82800000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5625 | RDKit |
| Exact Mass | 369.14 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 369.14 g/mol. Edit any field — others recompute live.
