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Triallyl Cyanurate
CAS: 101-37-1 | C12H15N3O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
101-37-1
Molecular Formula:
C12H15N3O3
Molecular Mass:
249.27 g/mol
Names and Synonyms:
Triallyl Cyanurate
1,3,5-Triazine, 2,4,6-tris(2-propen-1-yloxy)-
s-Triazine, 2,4,6-tris(allyloxy)-
1,3,5-Triazine, 2,4,6-tris(2-propenyloxy)-
2,4,6-Tris(2-propen-1-yloxy)-1,3,5-triazine
Cyanuric acid triallyl ester
Triallyl cyanurate
2,4,6-Triallyloxy-s-triazine
Cyanuric acid, tri-2-propenyl ester
2,4,6-Tris(allyloxy)-s-triazine
2,4,6-Tris(allyloxy)-1,3,5-triazine
2,4,6-Tris(allyloxy)triazine
Activator OC
TAC
Perkalink 300
Rhenofit TAC
Perkalink 300-50D
2,4,6-Tris(2-propenyloxy)-1,3,5-triazine
2,4,6-Triallyloxy-1,3,5-triazine
NSC 4804
NSC 49121
SR 507
Sartomer SR 507
PLC 50BC
Rhenofit TAC/S
Rhenogran TAC/S
TAITs
TAC-DL 70
Luvomaxx TAC-DL 70
Vul-Cup TAC 70
TAIC 50
Crosslinker TAC
Luvomaxx TAC-DL 50
GR 70
TRM 491
TAC 70
TAC 50GR
JN 852
SR 507A
Kettlitz TAC GR 70
Identifiers:
SMILES:
C=CCOc1nc(OCC=C)nc(OCC=C)n1
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
Key Properties
Boiling Point
137-140 °C @ Press: 0.4-0.5 Torr
CAS Common Chemistry
Melting Point
29-30 °C
CAS Common Chemistry
Density
1.12 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 | 249.27 g/mol | CAS Common Chemistry |
| 249.26999999999998 g/mol | RDKit | |
| 249.11134134 g/mol | RDKit | |
| Density | 1.12 g/cm³ | CAS Common Chemistry |
| 1.12 g/cm3 @ Temp: 23 °C | CAS Common Chemistry | |
| Boiling Point | 137-140 °C @ Press: 0.4-0.5 Torr | 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 |
| LogP | 1.5659999999999998 | RDKit |
| Molar Refractivity | 66.90300000000002 | RDKit |
