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Molecule
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
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Basic Information
- CAS Registry Number
- 959-52-4
- Molecular Formula
- C12H15N3O3
- Molecular Mass
- 249.27 g/mol
Identifiers
CAS Registry Number
959-52-4
SMILES
C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)C=C)C1
InChI Key
FYBFGAFWCBMEDG-UHFFFAOYSA-N
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
Names and Synonyms
- 1,1′,1′′-(1,3,5-Triazine-1,3,5(2H,4H,6H)-Triyl)Tris[2-Propen-1-One] Systematic Name
- 2-Propen-1-one, 1,1′,1′′-(1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris- Synonym
- s-Triazine, 1,3,5-triacryloylhexahydro- Synonym
- 1,3,5-Triazine, hexahydro-1,3,5-tris(1-oxo-2-propenyl)- Synonym
- 1,1′,1′′-(1,3,5-Triazine-1,3,5(2H,4H,6H)-triyl)tris[2-propen-1-one] Synonym
- Triacrylformal Synonym
- Hexahydro-1,3,5-triacryloyl-s-triazine Synonym
- 1,3,5-Triacryloyltrimethylenetriamine Synonym
- Fixierer P Synonym
- Triacryloylhexahydrotriazine Synonym
- Tris(acryloyl)hexahydro-s-triazine Synonym
- 1,3,5-Triacryloylhexahydro-s-triazine Synonym
- Triacryloylperhydrotriazine Synonym
- Tri(N-acryloyl)hexahydrotriazine Synonym
- 1,3,5-Triacryloylhexahydro-1,3,5-triazine Synonym
- 1,3,5-Triacryloyl-s-triazine Synonym
- 1,3,5-Triacryloylhexahydrotriazine Synonym
- 1,3,5-Tris(acryloyl)hexahydro-s-triazine Synonym
- Tris(N-acryloyl)hexahydrotriazine Synonym
- Triacryloylhexahydro-s-triazine Synonym
- Hexahydrotris(acryloyl)-s-triazine Synonym
- DU 801 Synonym
- Fixing Agent P Synonym
- TAF Synonym
- TAF (crosslinking agent) Synonym
- 1,3,5-Triacryloylaminohexahydro-s-triazine Synonym
- NSC 63839 Synonym
- NSC 8185 Synonym
- 1-[3,5-Di(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one Synonym
- 1: PN: WO2020148529 PAGE: 32 claimed sequence Synonym
- TAT Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 249.27 g/mol | CAS Common Chemistry |
| 249.26999999999995 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 |
| 60.93 Ų | RDKit | |
| 60.24 Ų | chempirical lib | |
| LogP | -0.08370000000000011 | RDKit |
| -0.0837 | RDKit | |
| Molar Refractivity | 65.73000000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 249.11134134 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 249.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H15N3O3.
