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1,1′,1′′-(1,3,5-Triazine-1,3,5(2H,4H,6H)-Triyl)Tris[2-Propen-1-One]
CAS: 959-52-4 | C12H15N3O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
959-52-4
Molecular Formula:
C12H15N3O3
Molecular Mass:
249.27 g/mol
Names and Synonyms:
1,1′,1′′-(1,3,5-Triazine-1,3,5(2H,4H,6H)-Triyl)Tris[2-Propen-1-One]
2-Propen-1-one, 1,1′,1′′-(1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris-
s-Triazine, 1,3,5-triacryloylhexahydro-
1,3,5-Triazine, hexahydro-1,3,5-tris(1-oxo-2-propenyl)-
1,1′,1′′-(1,3,5-Triazine-1,3,5(2H,4H,6H)-triyl)tris[2-propen-1-one]
Triacrylformal
Hexahydro-1,3,5-triacryloyl-s-triazine
1,3,5-Triacryloyltrimethylenetriamine
Fixierer P
Triacryloylhexahydrotriazine
Tris(acryloyl)hexahydro-s-triazine
1,3,5-Triacryloylhexahydro-s-triazine
Triacryloylperhydrotriazine
Tri(N-acryloyl)hexahydrotriazine
1,3,5-Triacryloylhexahydro-1,3,5-triazine
1,3,5-Triacryloyl-s-triazine
1,3,5-Triacryloylhexahydrotriazine
1,3,5-Tris(acryloyl)hexahydro-s-triazine
Tris(N-acryloyl)hexahydrotriazine
Triacryloylhexahydro-s-triazine
Hexahydrotris(acryloyl)-s-triazine
DU 801
Fixing Agent P
TAF
TAF (crosslinking agent)
1,3,5-Triacryloylaminohexahydro-s-triazine
NSC 63839
NSC 8185
1-[3,5-Di(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one
1: PN: WO2020148529 PAGE: 32 claimed sequence
TAT
Identifiers:
SMILES:
C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)C=C)C1
InChI:
InChI=1S/C12H15N3O3/c1-4-10(16)13-7-14(11(17)5-2)9-15(8-13)12(18)6-3/h4-6H,1-3,7-9H2
Key Properties
Melting Point
158 °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 | 249.27 g/mol | CAS Common Chemistry |
| 249.26999999999995 g/mol | RDKit | |
| 249.11134134 g/mol | RDKit | |
| Canonical SMILES | O=C(C=C)N1CN(C(=O)C=C)CN(C(=O)C=C)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H15N3O3/c1-4-10(16)13-7-14(11(17)5-2)9-15(8-13)12(18)6-3/h4-6H,1-3,7-9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FYBFGAFWCBMEDG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 158 °C | CAS Common Chemistry |
| Name | 1,1′,1′′-(1,3,5-Triazine-1,3,5(2H,4H,6H)-triyl)tris[2-propen-1-one] | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 60.93000000000001 Ų | RDKit |
| LogP | -0.08370000000000011 | RDKit |
| Molar Refractivity | 65.73000000000002 | RDKit |
