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Molecule
Triallyl Isocyanurate
CAS: 1025-15-6 · C12H15N3O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1025-15-6
- Molecular Formula
- C12H15N3O3
- Molecular Mass
- 249.27 g/mol
Identifiers
CAS Registry Number
1025-15-6
SMILES
C=CCn1c(=O)n(CC=C)c(=O)n(CC=C)c1=O
InChI Key
KOMNUTZXSVSERR-UHFFFAOYSA-N
InChI
InChI=1S/C12H15N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h4-6H,1-3,7-9H2
Names and Synonyms
- Triallyl Isocyanurate Common Name
- 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tri-2-propen-1-yl- Synonym
- s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-triallyl- Synonym
- 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tri-2-propenyl- Synonym
- s-Triazine-2,4,6(1H,3H,5H)-trione, triallyl- Synonym
- 1,3,5-Tri-2-propen-1-yl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione Synonym
- Isocyanuric acid triallyl ester Synonym
- 1,3,5-Triallylisocyanurate Synonym
- Triallyl isocyanurate Synonym
- 1,3,5-Triallylisocyanuric acid Synonym
- Diak 7 Synonym
- TAIC Synonym
- Perkalink 301 Synonym
- M 60 (isocyanurate) Synonym
- M 60 Synonym
- Triallyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione Synonym
- 1,3,5-Tri-2-propenyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione Synonym
- Perkalink 301-50D Synonym
- Perkalink 301-501 Synonym
- Perkalink 301-50 Synonym
- TAIC-M 60 Synonym
- TAIC-M 6 Synonym
- M 6 (isocyanurate) Synonym
- M 6 Synonym
- DLC-A Synonym
- 1,3,5-Triallyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione Synonym
- Drimix TAIC Synonym
- NSC 11692 Synonym
- WH 60 Synonym
- 1,3,5-Tris-2′-propenylisocyanuric acid Synonym
- SR 533 Synonym
- TAIC 60 Synonym
- TAIC WH Synonym
- Nor-TAIC KS Synonym
- TAIC DLC-A Synonym
- TAIC-WH 60 Synonym
- Perkalink 301-70DPD Synonym
- Synpro PLC 4185 Synonym
- SR 533R Synonym
- TAIC 100 Synonym
- Betalink IC/W 65PA6 Synonym
- Triallylisocyanuric acid Synonym
- Luvomaxx TAIC-DL 70C Synonym
- Luvomaxx TAIC-DL 70 Synonym
- Taicros Synonym
- TAIC 70 Synonym
- Triallyl-1,3,5-triazine-2,4,6-trione Synonym
- PL 301-50D Synonym
- PL 301 Synonym
- 1,3,5-Tris(2-propenyl) isocyanurate Synonym
- HBSQ 2011 Synonym
- Rhenofit TAIC/S Synonym
- Daik 7 Synonym
- TAIC-S Synonym
- TAIC-B Synonym
- T 123406 Synonym
- 1,3,5-Triallyl-1,3,5-triazin-2,4,6-trione Synonym
- CVD 50106 Synonym
- Taic-S 70 Synonym
- Drimix TAIC 75 Synonym
- Trilink 7 Synonym
- Kettlitz TAIC Synonym
- 1,3,5-Triallyl-1,3,5-triazinane-2,4,6-trione Synonym
- Allyl isocyanurate Synonym
- A 1712 Synonym
- 1,3,5-Triallyl-1,3,5-triazine-2,4,6-trione Synonym
- Farida TAIC-P Synonym
- T-CROS Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 249.27 g/mol | CAS Common Chemistry |
| 249.26999999999995 g/mol | RDKit | |
| Density | 1.38 g/cm³ | CAS Common Chemistry |
| 1.382 g/cm3 @ 22 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C1N(C(=O)N(C(=O)N1CC=C)CC=C)CC=C | CAS Common Chemistry |
| InChI | InChI=1S/C12H15N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h4-6H,1-3,7-9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KOMNUTZXSVSERR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 20.5 °C | CAS Common Chemistry |
| Name | Triallyl isocyanurate | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| 3 | RDKit | |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 66.0 Ų | RDKit |
| LogP | -0.27030000000000043 | RDKit |
| -0.2703 | RDKit | |
| Molar Refractivity | 69.813 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 249.11134134 g/mol | RDKit |
| Boiling Point | 107-114 °C @ 0.5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| 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.
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MW = 249.27 g/mol; density = 1.380 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H15N3O3.
