Basic information
- CAS
959-52-4- Standard SMILES
C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)C=C)C1- InChIKey
FYBFGAFWCBMEDG-UHFFFAOYSA-N- Molecular formula
- C12H15N3O3
- Average molar mass
- 249.27 g/mol
- Monoisotopic mass
- 249.11134135
Names & identifiers
- Preferred name
- Hexahydro-1,3,5-tris(1-oxoallyl)-1,3,5-triazine
- IUPAC
- 1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one
- English name
- 1,3,5-Triacryloylhexahydro-1,3,5-triazine
- Molecular formula
- C12H15N3O3
- Molecular weight
- 249.27
Names & synonyms
1,3,5-Triazine, hexahydro-1,3,5-tris(1-oxo-2-propenyl)-Hexahydro-1,3,5-tris(1-oxoallyl)-1,3,5-triazine2-Propen-1-one, 1,1',1''-(1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris-DTXSID8052645RefChem:786108DTXCID5031218959-52-41,3,5-Triacryloylhexahydro-1,3,5-triazineTriacrylformalFixierer PTriacryloylperhydrotriazineTriacryloylhexahydrotriazine
Show more names
1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tris(prop-2-en-1-one)fixiererp
Triacryloylhexahydro-s-triazineTri(N-acryloyl)hexahydrotriazineTris(N-acryloyl)hexahydrotriazineTris(acryloyl)hexahydro-s-triazine1,3,5-Triacryloyl-s-triazine1,3,5-Triacryloylhexahydro-s-triazine1,3,5-TriacryloylhexahydrotriazineHexahydro-1,3,5-triacryloyl-s-triazine
Database identifiers
- CAS
959-52-4- PubChem CID
- 70397
- DTXSID
DTXSID8052645- UNII
- P69A1S76RB
- EC Number
- 213-501-6
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 343
Experimental & physicochemical properties
Collision Cross Section160.1 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8052645]
Physicochemical properties
- Melting point
- 156 °C · 156 °C (dec.) (lit.)
- Boiling point
- 392.37 °C · 392.37°C (rough estimate)
- Density
- 1.1998 · 1.1998 (rough estimate)
- refractive index
- 1.529 · 1.5290 (estimate)
- Water Solubility
- Slightly soluble in water
- form
- powder to crystal
- pka
- -1 · -1.00±0.20(Predicted)
- color
- White to Almost white
- 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
- InChIKey
- FYBFGAFWCBMEDG-UHFFFAOYSA-N
- SMILES
- N1(C(=O)C=C)CN(C(=O)C=C)CN(C(=O)C=C)C1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H310 (95.3%): Fatal in contact with skin [Danger Acute toxicity, dermal]
P233, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P342+P316, P361+P364, P362+P364, P363, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1,3,5-Triazine, hexahydro-1,3,5-tris(1-oxo-2-propenyl)-
REACH registered substance: Hexahydro-1,3,5-tris(1-oxoallyl)-1,3,5-triazine (EC: 213-501-6)
1,3,5-Triazine, hexahydro-1,3,5-tris(1-oxo-2-propenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 2 (95.3%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- XY9260000
- ridadr
- UN 2928 6.1/PG 2
- hs_code
- 29336990
- risk_code
- 23/24/25-34-42/43
- Signal word
- Danger
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propen-1-one, 1,1',1''-(1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris-: ACTIVE
Applications
UsesThe 1,3,5-triacryloylhexahydro-1,3,5-triazine (TAT) is a quaternary ammonium compound that presents three aliphatic double bonds on its chemical structure. For this reason, TAT is a candidate for antibacterial activity in methacrylate-based materials as it copolymerizes into the structure, contributing to the stability of these composites. Incorporating TAT into methacrylate-based cement could lead to the production of materials that avoid bacterial colonization and are more prone to resist degradation by bacterial and non-bacterial products[1].
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏星科元信息科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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