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Tris[3-(Trimethoxysilyl)Propyl] Isocyanurate
CAS: 26115-70-8 | C21H45N3O12Si3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
26115-70-8
Molecular Formula:
C21H45N3O12Si3
Molecular Mass:
615.86 g/mol
Names and Synonyms:
Tris[3-(Trimethoxysilyl)Propyl] Isocyanurate
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[3-(trimethoxysilyl)propyl]-
s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[3-(trimethoxysilyl)propyl]-
1,3,5-Tris[3-(trimethoxysilyl)propyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
1,3,5-Tris[3-(trimethoxysilyl)propyl]isocyanurate
Tris[(trimethoxysilyl)propyl]isocyanurate
1,3,5-Tris(trimethoxysilylpropyl) isocyanurate
Tris[3-(trimethoxysilyl)propyl] isocyanurate
Degussa 153
Silquest Y 11597
Y 11597
Silquest Y 11570
NUC Silicone Y 11597
A-Link 597
X 12-965
2,4,6-Tris[3-(trimethoxysilyl)propyl] isocyanurate
Tris(3-trimethoxysilylpropyl)cyclotriisocyanurate
Silquest A-Link 597
KBM 9659
Geniosil GF 69
1,3,5-N-Tris[3-(trimethoxysilyl)propyl] isocyanurate
Silquest Y 19020 Silane
Silquest Y 19020
Dynasylan VPS 7161
1,3,5-Tris(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione
Silquest A 597
SIT 8717.0
Identifiers:
SMILES:
CO[Si](CCCn1c(=O)n(CCC[Si](OC)(OC)OC)c(=O)n(CCC[Si](OC)(OC)OC)c1=O)(OC)OC
InChI:
InChI=1S/C21H45N3O12Si3/c1-28-37(29-2,30-3)16-10-13-22-19(25)23(14-11-17-38(31-4,32-5)33-6)21(27)24(20(22)26)15-12-18-39(34-7,35-8)36-9/h10-18H2,1-9H3
Key Properties
Density
1.17 g/cm³
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 | 615.86 g/mol | CAS Common Chemistry |
| 615.8580000000004 g/mol | RDKit | |
| 615.23110347 g/mol | RDKit | |
| Density | 1.17 g/cm³ | CAS Common Chemistry |
| 1.170 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C1N(C(=O)N(C(=O)N1CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC | CAS Common Chemistry |
| InChI | InChI=1S/C21H45N3O12Si3/c1-28-37(29-2,30-3)16-10-13-22-19(25)23(14-11-17-38(31-4,32-5)33-6)21(27)24(20(22)26)15-12-18-39(34-7,35-8)36-9/h10-18H2,1-9H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QWOVEJBDMKHZQK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tris[3-(trimethoxysilyl)propyl] isocyanurate | CAS Common Chemistry |
| Heavy Atom Count | 39 | RDKit |
| Hydrogen Bond Acceptors | 15 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 21 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 149.07000000000002 Ų | RDKit |
| LogP | -0.023699999999993837 | RDKit |
| Molar Refractivity | 147.8369999999998 | RDKit |
