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Triphenyl-2-Propen-1-Ylstannane
CAS: 76-63-1 | C21H20Sn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
76-63-1
Molecular Formula:
C21H20Sn
Molecular Mass:
391.10 g/mol
Names and Synonyms:
Triphenyl-2-Propen-1-Ylstannane
Stannane, triphenyl-2-propen-1-yl-
Stannane, allyltriphenyl-
Stannane, triphenyl-2-propenyl-
Tin, allyltriphenyl-
Triphenyl-2-propen-1-ylstannane
Dowco 187
Allyltriphenyltin
ENT 50909
Allyltriphenylstannane
3-(Triphenylstannyl)-1-propene
NSC 227360
NSC 99168
Triphenyl(2-propenyl)stannane
Identifiers:
SMILES:
[CH2]C=C.[Sn].[c]1ccccc1.[c]1ccccc1.[c]1ccccc1
InChI:
InChI=1S/3C6H5.C3H5.Sn/c3*1-2-4-6-5-3-1;1-3-2;/h3*1-5H;3H,1-2H2;
Key Properties
Melting Point
71-73 °C
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 | 391.10 g/mol | CAS Common Chemistry |
| 391.1020000000001 g/mol | RDKit | |
| 392.05869534 g/mol | RDKit | |
| Canonical SMILES | C=CC[Sn](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/3C6H5.C3H5.Sn/c3*1-2-4-6-5-3-1;1-3-2;/h3*1-5H;3H,1-2H2; | CAS Common Chemistry |
| InChI Key | InChIKey=NDUYAGLANMHJHF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 71-73 °C | CAS Common Chemistry |
| Name | Triphenyl-2-propen-1-ylstannane | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.086060000000004 | RDKit |
| Molar Refractivity | 97.14200000000004 | RDKit |
