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Tris(2-Hydroxyethyl) Isocyanurate Triacrylate
CAS: 40220-08-4 | C18H21N3O9
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
40220-08-4
Molecular Formula:
C18H21N3O9
Molecular Mass:
423.38 g/mol
Names and Synonyms:
Tris(2-Hydroxyethyl) Isocyanurate Triacrylate
2-Propenoic acid, 1,1′,1′′-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tri-2,1-ethanediyl] ester
2-Propenoic acid, (2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tri-2,1-ethanediyl ester
Tris[2-(acryloyloxy)ethyl] isocyanurate
Tris(2-hydroxyethyl) isocyanurate triacrylate
Tris(β-acryloyloxyethyl) isocyanurate
FA 731A
Aronix M 315
Sartomer SR 368
SR 368
Tris(2-acryloxyethyl) isocyanurate
Genomer T 930
Fancryl FA 731A
SR 360
Newfrontier TEICA
Sartomer 369
GX 8430
Tris(2-hydroxyethyl)isocyanuric acid triacrylate
Sartomer 368
Ebecryl IRR 264
THEICTA
CN 936
NK Ester A 9300
A 9300
M 315
Tris(acryloyloxyethyl) isocyanurate
Newfrontier GX 8430
Miramer M 370
M 370
A 9300S
Tri(2-hydroxyethyl)isocyanurate triacrylate
NK Ester A 9300S
EM 2308
SR 368DNS
SR 368NS
Tris hydroxyethyl isocyanurate triacrylate
Fancryl FA 331A
EM 238-1
SR 387
Identifiers:
SMILES:
C=CC(=O)OCCn1c(=O)n(CCOC(=O)C=C)c(=O)n(CCOC(=O)C=C)c1=O
InChI:
InChI=1S/C18H21N3O9/c1-4-13(22)28-10-7-19-16(25)20(8-11-29-14(23)5-2)18(27)21(17(19)26)9-12-30-15(24)6-3/h4-6H,1-3,7-12H2
Key Properties
Melting Point
52 °C
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 | 423.38 g/mol | CAS Common Chemistry |
| 423.37800000000027 g/mol | RDKit | |
| 423.127779252 g/mol | RDKit | |
| Canonical SMILES | O=C(OCCN1C(=O)N(C(=O)N(C1=O)CCOC(=O)C=C)CCOC(=O)C=C)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C18H21N3O9/c1-4-13(22)28-10-7-19-16(25)20(8-11-29-14(23)5-2)18(27)21(17(19)26)9-12-30-15(24)6-3/h4-6H,1-3,7-12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YIJYFLXQHDOQGW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 52 °C | CAS Common Chemistry |
| Name | Tris(2-hydroxyethyl) isocyanurate triacrylate | CAS Common Chemistry |
| Heavy Atom Count | 30 | RDKit |
| Hydrogen Bond Acceptors | 12 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 144.9 Ų | RDKit |
| LogP | -1.640699999999996 | RDKit |
| Molar Refractivity | 102.69000000000005 | RDKit |
