| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 02:34:59 UTC |
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| Update Date | 2016-11-09 01:13:42 UTC |
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| Accession Number | CHEM007990 |
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| Identification |
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| Common Name | Trietazine |
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| Class | Small Molecule |
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| Description | Not Available |
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| Contaminant Sources | - My Exposome Chemicals
- STOFF IDENT Compounds
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| Chlortriazine | MeSH | | Trietazine | MeSH |
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| Chemical Formula | C9H16ClN5 |
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| Average Molecular Mass | 229.710 g/mol |
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| Monoisotopic Mass | 229.109 g/mol |
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| CAS Registry Number | 1912-26-1 |
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| IUPAC Name | 4-chloro-N,N-diethyl-6-(ethylimino)-1,6-dihydro-1,3,5-triazin-2-amine |
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| Traditional Name | 4-chloro-N,N-diethyl-6-(ethylimino)-1H-1,3,5-triazin-2-amine |
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| SMILES | CCN=C1NC(=NC(Cl)=N1)N(CC)CC |
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| InChI Identifier | InChI=1S/C9H16ClN5/c1-4-11-8-12-7(10)13-9(14-8)15(5-2)6-3/h4-6H2,1-3H3,(H,11,12,13,14) |
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| InChI Key | HFBWPRKWDIRYNX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as 1,3,5-triazine-2,4-diamines. These are aromatic compounds containing a 1,3,5-triazine ring which is 2,4-disusbtituted wit amine groups. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Triazines |
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| Sub Class | Aminotriazines |
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| Direct Parent | 1,3,5-triazine-2,4-diamines |
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| Alternative Parents | |
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| Substituents | - 2,4-diamine-s-triazine
- Dialkylarylamine
- Chloro-s-triazine
- Halo-s-triazine
- Secondary aliphatic/aromatic amine
- N-aliphatic s-triazine
- Aryl chloride
- Aryl halide
- 1,3,5-triazine
- Heteroaromatic compound
- Azacycle
- Secondary amine
- Amine
- Hydrocarbon derivative
- Organonitrogen compound
- Organochloride
- Organohalogen compound
- Organopnictogen compound
- Organic nitrogen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-0udi-4590000000-9e697b1f13085cf19e54 | 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 | splash10-001i-0190000000-79bf0643cf9a96fea91b | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udi-0390000000-1ed02752e7e55e383fa3 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0233-9800000000-6e05d0fd3cc23be3a7bf | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014i-3920000000-c02ecee635ed0fe47d00 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-5690000000-e28756ecd768fe411f36 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0fi3-2900000000-f6148eda203356fbd9f4 | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB0259189 |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Not Available |
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| Chemspider ID | 15157 |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | Not Available |
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| Kegg Compound ID | C18814 |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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