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Tributyltin Azide
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
Names and Synonyms:
Tributyltin Azide
Stannane, azidotributyl-
Tin, azidotributyl-
Azidotributylstannane
Tributylstannyl azide
Tributyltin azide
Azidotributyltin
Tri-n-butyltin azide
Tri-n-butylstannyl azide
NSC 179738
Identifiers:
SMILES:
[CH2]CCC.[CH2]CCC.[CH2]CCC.[N]N=[N-].[Sn+]
InChI:
InChI=1S/3C4H9.N3.Sn/c3*1-3-4-2;1-3-2;/h3*1,3-4H2,2H3;;/q;;;-1;+1
Key Properties
Boiling Point
118-120 °C @ Press: 0.18 Torr
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 | 332.08 g/mol | CAS Common Chemistry |
| 333.122692564 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tributyltin_azide | CAS Common Chemistry |
| Boiling Point | 118-120 °C @ Press: 0.18 Torr | 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 |
| Tributyltin azide | CAS Common Chemistry | |
| 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 |
| LogP | 4.472670000000004 | RDKit |
| Molar Refractivity | 74.47000000000006 | RDKit |
