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Triallyl Isocyanurate
CAS: 1025-15-6 | C12H15N3O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1025-15-6
Molecular Formula:
C12H15N3O3
Molecular Weight:
249.26999999999995 g/mol
Names and Synonyms:
Triallyl Isocyanurate
Farida TAIC-P
1,3,5-Triallyl-1,3,5-triazinane-2,4,6-trione
Kettlitz TAIC
Trilink 7
HBSQ 2011
Luvomaxx TAIC-DL 70C
Triallylisocyanuric acid
SR 533R
TAIC WH
DLC-A
TAIC-M 60
Triallyl isocyanurate
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tri-2-propen-1-yl-
T-CROS
A 1712
Taic-S 70
1,3,5-Triallyl-1,3,5-triazin-2,4,6-trione
TAIC-B
Rhenofit TAIC/S
PL 301-50D
Luvomaxx TAIC-DL 70
TAIC 60
M 6
TAIC-M 6
Perkalink 301-50
Triallyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
Perkalink 301
1,3,5-Tri-2-propen-1-yl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
s-Triazine-2,4,6(1H,3H,5H)-trione, triallyl-
s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-triallyl-
Drimix TAIC 75
CVD 50106
1,3,5-Tris(2-propenyl) isocyanurate
PL 301
TAIC 70
Betalink IC/W 65PA6
Perkalink 301-70DPD
Nor-TAIC KS
1,3,5-Tris-2′-propenylisocyanuric acid
NSC 11692
Drimix TAIC
1,3,5-Triallyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
Perkalink 301-501
1,3,5-Tri-2-propenyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
M 60
M 60 (isocyanurate)
TAIC
Diak 7
1,3,5-Triallylisocyanurate
1,3,5-Triallyl-1,3,5-triazine-2,4,6-trione
Allyl isocyanurate
T 123406
TAIC-S
Daik 7
Triallyl-1,3,5-triazine-2,4,6-trione
Taicros
TAIC 100
Synpro PLC 4185
TAIC-WH 60
TAIC DLC-A
SR 533
WH 60
M 6 (isocyanurate)
Perkalink 301-50D
1,3,5-Triallylisocyanuric acid
Isocyanuric acid triallyl ester
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tri-2-propenyl-
Identifiers:
SMILES:
C=CCn1c(=O)n(CC=C)c(=O)n(CC=C)c1=O
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
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 249.27 g/mol | Legacy Database |
| density | 1.38 g/cm³ | Legacy Database |
| cas-boiling-point | 107-114 °C @ Press: 0.5 Torr None | Legacy Database |
| cas-canonical-smile | O=C1N(C(=O)N(C(=O)N1CC=C)CC=C)CC=C None | Legacy Database |
| cas-density | 1.382 g/cm3 @ Temp: 22 °C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=KOMNUTZXSVSERR-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 20.5 °C None | Legacy Database |
| cas-name | Triallyl isocyanurate None | Legacy Database |
| LogP | -0.27030000000000043 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 249.26999999999995 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 249.11134134 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 18 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 6 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 66.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 69.813 | RDKit |
