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Molecule
TAC
CAS: 101-37-1 · C12H15N3O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 101-37-1
- Molecular Formula
- C12H15N3O3
- Molecular Mass
- 249.27 g/mol
Identifiers
CAS Registry Number
101-37-1
SMILES
C=CCOc1nc(OCC=C)nc(OCC=C)n1
InChI Key
BJELTSYBAHKXRW-UHFFFAOYSA-N
InChI
InChI=1S/C12H15N3O3/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3/h4-6H,1-3,7-9H2
Names and Synonyms
- TAC Synonym
- Triallyl Cyanurate Synonym
- 1,3,5-Triazine, 2,4,6-tris(2-propen-1-yloxy)- Synonym
- s-Triazine, 2,4,6-tris(allyloxy)- Synonym
- 1,3,5-Triazine, 2,4,6-tris(2-propenyloxy)- Synonym
- 2,4,6-Tris(2-propen-1-yloxy)-1,3,5-triazine Synonym
- Cyanuric acid triallyl ester Synonym
- Triallyl cyanurate Synonym
- 2,4,6-Triallyloxy-s-triazine Synonym
- Cyanuric acid, tri-2-propenyl ester Synonym
- 2,4,6-Tris(allyloxy)-s-triazine Synonym
- 2,4,6-Tris(allyloxy)-1,3,5-triazine Synonym
- 2,4,6-Tris(allyloxy)triazine Synonym
- Activator OC Synonym
- Perkalink 300 Synonym
- Rhenofit TAC Synonym
- Perkalink 300-50D Synonym
- 2,4,6-Tris(2-propenyloxy)-1,3,5-triazine Synonym
- 2,4,6-Triallyloxy-1,3,5-triazine Synonym
- NSC 4804 Synonym
- NSC 49121 Synonym
- SR 507 Synonym
- Sartomer SR 507 Synonym
- PLC 50BC Synonym
- Rhenofit TAC/S Synonym
- Rhenogran TAC/S Synonym
- TAITs Synonym
- TAC-DL 70 Synonym
- Luvomaxx TAC-DL 70 Synonym
- Vul-Cup TAC 70 Synonym
- TAIC 50 Synonym
- Crosslinker TAC Synonym
- Luvomaxx TAC-DL 50 Synonym
- GR 70 Synonym
- TRM 491 Synonym
- TAC 70 Synonym
- TAC 50GR Synonym
- JN 852 Synonym
- SR 507A Synonym
- Kettlitz TAC GR 70 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 249.27 g/mol | CAS Common Chemistry |
| 249.26999999999998 g/mol | RDKit | |
| Density | 1.12 g/cm³ | CAS Common Chemistry |
| 1.12 g/cm3 @ 23 °C | CAS Common Chemistry | |
| Canonical SMILES | N=1C(=NC(=NC1OCC=C)OCC=C)OCC=C | CAS Common Chemistry |
| InChI | InChI=1S/C12H15N3O3/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3/h4-6H,1-3,7-9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=BJELTSYBAHKXRW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 29-30 °C | CAS Common Chemistry |
| Name | Triallyl cyanurate | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 66.36 Ų | RDKit |
| 64.77 Ų | chempirical lib | |
| LogP | 1.5659999999999998 | RDKit |
| 1.566 | RDKit | |
| Molar Refractivity | 66.90300000000002 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 | 137-140 °C @ 0.4-0.5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 249.27 g/mol; density = 1.120 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H15N3O3.
