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Triglycidyl Isocyanurate
CAS: 2451-62-9 | C12H15N3O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2451-62-9
Molecular Formula:
C12H15N3O6
Molecular Mass:
297.27 g/mol
Names and Synonyms:
Triglycidyl Isocyanurate
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-oxiranylmethyl)-
s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2,3-epoxypropyl)-
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(oxiranylmethyl)-
s-Triazine-2,4,6(1H,3H,5H)-trione, tris(2,3-epoxypropyl)-
1,3,5-Tris(2-oxiranylmethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
Tris(epoxypropyl) isocyanurate
1,3,5-Triglycidyl isocyanurate
Triglycidyl isocyanurate
1,3,5-Triglycidylisocyanuric acid
Tris(2,3-epoxypropyl) isocyanurate
1,3,5-Triglycidylhexahydro-1,3,5-triazine-2,4,6-trione
1,3,5-Triglycidyl-s-triazine-2,4,6-trione
Glycidyl isocyanurate
N,N′,N′′-Triglycidyl isocyanurate
TGT
NSC 269934
1,3,5-Tris(oxiranylmethyl)-1,3,5-triazine-2,4,6-trione
1,3,5-Tris(2,3-epoxypropyl) isocyanurate
PTGIC
1,3,5-Tris(oxiran-2-ylmethyl)-1,3,5-triazine-2,4,6-trione
HT 702
1,3,5-Tris(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
HT 708
Identifiers:
SMILES:
O=c1n(CC2CO2)c(=O)n(CC2CO2)c(=O)n1CC1CO1
InChI:
InChI=1S/C12H15N3O6/c16-10-13(1-7-4-19-7)11(17)15(3-9-6-21-9)12(18)14(10)2-8-5-20-8/h7-9H,1-6H2
Key Properties
Boiling Point
210 °C @ Press: 0.2 Torr
CAS Common Chemistry
Melting Point
95 °C
CAS Common Chemistry
Density
1.33 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 | 297.27 g/mol | CAS Common Chemistry |
| 297.267 g/mol | RDKit | |
| 297.0960852 g/mol | RDKit | |
| Density | 1.33 g/cm³ | CAS Common Chemistry |
| 1.33 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 210 °C @ Press: 0.2 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C1N(C(=O)N(C(=O)N1CC2OC2)CC3OC3)CC4OC4 | CAS Common Chemistry |
| InChI | InChI=1S/C12H15N3O6/c16-10-13(1-7-4-19-7)11(17)15(3-9-6-21-9)12(18)14(10)2-8-5-20-8/h7-9H,1-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OUPZKGBUJRBPGC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 95 °C | CAS Common Chemistry |
| Name | Triglycidyl isocyanurate | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 103.59 Ų | RDKit |
| LogP | -2.6318999999999972 | RDKit |
| Molar Refractivity | 68.44200000000002 | RDKit |
