| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation Date | 2016-05-19 03:33:37 UTC |
|---|
| Update Date | 2016-11-09 01:14:20 UTC |
|---|
| Accession Number | CHEM011140 |
|---|
| Identification |
|---|
| Common Name | Triglycidyl isocyanurate |
|---|
| Class | Small Molecule |
|---|
| Description | Not Available |
|---|
| Contaminant Sources | - HPV EPA Chemicals
- STOFF IDENT Compounds
- ToxCast & Tox21 Chemicals
|
|---|
| Contaminant Type | Not Available |
|---|
| Chemical Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| Alphatgi | ChEMBL | | Triglycidyl isocyanuric acid | Generator | | TGIC | MeSH | | alpha-1,3,5-Triglycidyl-S-triazinetrione | MeSH | | Teroxirone | MeSH | | 1,3,5-Triglycidyl-S-triazinetrione | MeSH | | Tepic | MeSH | | alpha-TGT | MeSH | | 1,3,5-Triglycidyl isocyanurate | MeSH |
|
|---|
| Chemical Formula | C12H15N3O6 |
|---|
| Average Molecular Mass | 297.267 g/mol |
|---|
| Monoisotopic Mass | 297.096 g/mol |
|---|
| CAS Registry Number | 2451-62-9 |
|---|
| IUPAC Name | tris[(oxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione |
|---|
| Traditional Name | tris(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione |
|---|
| SMILES | O=C1N(CC2CO2)C(=O)N(CC2CO2)C(=O)N1CC1CO1 |
|---|
| InChI Identifier | InChI=1S/C12H15N3O6/c16-10-13(1-7-4-19-7)11(17)15(3-9-6-21-9)12(18)14(10)2-8-5-20-8/h7-9H,1-6H2 |
|---|
| InChI Key | OUPZKGBUJRBPGC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Description | belongs to the class of organic compounds known as triazinones. Triazinones are compounds containing a triazine ring which bears a ketone group a carbon atom. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Organoheterocyclic compounds |
|---|
| Class | Triazines |
|---|
| Sub Class | Triazinones |
|---|
| Direct Parent | Triazinones |
|---|
| Alternative Parents | |
|---|
| Substituents | - Triazinone
- 1,3,5-triazine
- Heteroaromatic compound
- Urea
- Dialkyl ether
- Oxirane
- Ether
- Oxacycle
- Azacycle
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- Organic oxygen compound
- Aromatic heteromonocyclic compound
|
|---|
| Molecular Framework | Aromatic heteromonocyclic compounds |
|---|
| External Descriptors | Not Available |
|---|
| Biological Properties |
|---|
| Status | Detected and Not Quantified |
|---|
| Origin | Not Available |
|---|
| Cellular Locations | Not Available |
|---|
| Biofluid Locations | Not Available |
|---|
| Tissue Locations | Not Available |
|---|
| Pathways | Not Available |
|---|
| Applications | Not Available |
|---|
| Biological Roles | Not Available |
|---|
| Chemical Roles | Not Available |
|---|
| Physical Properties |
|---|
| State | Not Available |
|---|
| Appearance | Not Available |
|---|
| Experimental Properties | | Property | Value |
|---|
| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
|
|---|
| Predicted Properties | |
|---|
| Spectra |
|---|
| Spectra | | Spectrum Type | Description | Splash Key | View |
|---|
| Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-00kf-4290000000-a4b853f307029fd64f57 | Spectrum | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-0090000000-1fe94c62f4504b21fe8c | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0uka-4970000000-25cf40bfe24d6accae9c | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0kgk-8960000000-c30e294dc39bd49d90e1 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-0190000000-4c5f4bf0f82e3c088452 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-0390000000-d0c913c60911511dcedc | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-03e9-1910000000-3af9ad43effacaac2a67 | Spectrum |
|
|---|
| Toxicity Profile |
|---|
| Route of Exposure | Not Available |
|---|
| Mechanism of Toxicity | Not Available |
|---|
| Metabolism | Not Available |
|---|
| Toxicity Values | Not Available |
|---|
| Lethal Dose | Not Available |
|---|
| Carcinogenicity (IARC Classification) | Not Available |
|---|
| Uses/Sources | Not Available |
|---|
| Minimum Risk Level | Not Available |
|---|
| Health Effects | Not Available |
|---|
| Symptoms | Not Available |
|---|
| Treatment | Not Available |
|---|
| Concentrations |
|---|
| Not Available |
|---|
| External Links |
|---|
| DrugBank ID | Not Available |
|---|
| HMDB ID | HMDB0258835 |
|---|
| FooDB ID | Not Available |
|---|
| Phenol Explorer ID | Not Available |
|---|
| KNApSAcK ID | Not Available |
|---|
| BiGG ID | Not Available |
|---|
| BioCyc ID | Not Available |
|---|
| METLIN ID | Not Available |
|---|
| PDB ID | Not Available |
|---|
| Wikipedia Link | Not Available |
|---|
| Chemspider ID | 16226 |
|---|
| ChEBI ID | Not Available |
|---|
| PubChem Compound ID | Not Available |
|---|
| Kegg Compound ID | Not Available |
|---|
| YMDB ID | Not Available |
|---|
| ECMDB ID | Not Available |
|---|
| References |
|---|
| Synthesis Reference | Not Available |
|---|
| MSDS | Not Available |
|---|
| General References | Not Available |
|---|
