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Molecule
Triglycidyl Isocyanurate
CAS: 2451-62-9 · C12H15N3O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2451-62-9
- Molecular Formula
- C12H15N3O6
- Molecular Mass
- 297.27 g/mol
Identifiers
CAS Registry Number
2451-62-9
SMILES
O=c1n(CC2CO2)c(=O)n(CC2CO2)c(=O)n1CC1CO1
InChI Key
OUPZKGBUJRBPGC-UHFFFAOYSA-N
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
Names and Synonyms
- Triglycidyl Isocyanurate Synonym
- 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-oxiranylmethyl)- Synonym
- s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2,3-epoxypropyl)- Synonym
- 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(oxiranylmethyl)- Synonym
- s-Triazine-2,4,6(1H,3H,5H)-trione, tris(2,3-epoxypropyl)- Synonym
- 1,3,5-Tris(2-oxiranylmethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione Synonym
- Tris(epoxypropyl) isocyanurate Synonym
- 1,3,5-Triglycidyl isocyanurate Synonym
- Triglycidyl isocyanurate Synonym
- 1,3,5-Triglycidylisocyanuric acid Synonym
- Tris(2,3-epoxypropyl) isocyanurate Synonym
- 1,3,5-Triglycidylhexahydro-1,3,5-triazine-2,4,6-trione Synonym
- 1,3,5-Triglycidyl-s-triazine-2,4,6-trione Synonym
- Glycidyl isocyanurate Synonym
- N,N′,N′′-Triglycidyl isocyanurate Synonym
- TGT Synonym
- NSC 269934 Synonym
- 1,3,5-Tris(oxiranylmethyl)-1,3,5-triazine-2,4,6-trione Synonym
- 1,3,5-Tris(2,3-epoxypropyl) isocyanurate Synonym
- PTGIC Synonym
- 1,3,5-Tris(oxiran-2-ylmethyl)-1,3,5-triazine-2,4,6-trione Synonym
- HT 702 Synonym
- 1,3,5-Tris(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione Synonym
- HT 708 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 297.27 g/mol | CAS Common Chemistry |
| 297.267 g/mol | RDKit | |
| Density | 1.33 g/cm³ | CAS Common Chemistry |
| 1.33 g/cm3 | 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 |
| 6 | 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 |
| -2.6319 | RDKit | |
| Molar Refractivity | 68.44200000000002 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 297.0960852 g/mol | RDKit |
| Boiling Point | 210 °C @ 0.2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 297.27 g/mol; density = 1.330 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H15N3O6.
