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Molecule
Azidotributyltin
CAS: 17846-68-3 · C12H27N3Sn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 17846-68-3
- Molecular Formula
- C12H27N3Sn
- Molecular Mass
- 332.08 g/mol
Identifiers
CAS Registry Number
17846-68-3
SMILES
[CH2]CCC.[CH2]CCC.[CH2]CCC.[N]N=[N-].[Sn+]
InChI Key
JKVRTUCVPZTEQZ-UHFFFAOYSA-N
InChI
InChI=1S/3C4H9.N3.Sn/c3*1-3-4-2;1-3-2;/h3*1,3-4H2,2H3;;/q;;;-1;+1
Names and Synonyms
- Azidotributyltin Synonym
- Tributyltin Azide Synonym
- Stannane, azidotributyl- Synonym
- Tin, azidotributyl- Synonym
- Azidotributylstannane Synonym
- Tributylstannyl azide Synonym
- Tributyltin azide Synonym
- Tri-n-butyltin azide Synonym
- Tri-n-butylstannyl azide Synonym
- NSC 179738 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Wikipedia Url | https://en.wikipedia.org/wiki/Tributyltin_azide | CAS Common Chemistry |
| Canonical SMILES | [N-]=[N+]=N[Sn](CCCC)(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/3C4H9.N3.Sn/c3*1-3-4-2;1-3-2;/h3*1,3-4H2,2H3;;/q;;;-1;+1 | CAS Common Chemistry |
| InChI Key | InChIKey=JKVRTUCVPZTEQZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Azidotributylstannane | CAS Common Chemistry |
| Molecular Mass | 332.08 g/mol | RDKit |
| 333.122692564 g/mol | RDKit | |
| 337.119 g/mol | chempirical lib | |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 56.959999999999994 Ų | RDKit |
| 56.96 Ų | RDKit | |
| 62.17 Ų | chempirical lib | |
| LogP | 4.472670000000004 | RDKit |
| 4.4727 | RDKit | |
| 4.22 | chempirical lib | |
| Molar Refractivity | 74.47000000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 332.08 g/mol | CAS Common Chemistry |
| Boiling Point | 118-120 °C @ 0.18 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 332.08 g/mol. Edit any field — others recompute live.
