| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 02:35:40 UTC |
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| Update Date | 2016-11-09 01:13:42 UTC |
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| Accession Number | CHEM008015 |
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| Identification |
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| Common Name | Cyprazine |
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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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| Cyprazine | MeSH | | Outfox | MeSH |
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| Chemical Formula | C9H14ClN5 |
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| Average Molecular Mass | 227.700 g/mol |
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| Monoisotopic Mass | 227.094 g/mol |
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| CAS Registry Number | 22936-86-3 |
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| IUPAC Name | N-[4-chloro-6-(cyclopropylimino)-1,2,5,6-tetrahydro-1,3,5-triazin-2-ylidene]propan-2-amine |
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| Traditional Name | N-[4-chloro-6-(cyclopropylimino)-1,5-dihydro-1,3,5-triazin-2-ylidene]propan-2-amine |
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| SMILES | CC(C)N=C1NC(NC(Cl)=N1)=NC1CC1 |
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| InChI Identifier | InChI=1S/C9H14ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6-3-4-6/h5-6H,3-4H2,1-2H3,(H2,11,12,13,14,15) |
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| InChI Key | OOHIAOSLOGDBCE-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
- 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 | Not Available |
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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 LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-0590000000-9ea01f5c8085f8b248f1 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000i-2910000000-8cbf830a9ce511a42056 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9400000000-e43664605c220957d6b9 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014i-2910000000-e41093abbb0941b1e076 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-056r-9780000000-02bdd5ecce1410500a5f | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0pbc-6900000000-1e783db859b7e80e86ab | 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 | Not Available |
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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 | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | 24738 |
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| Kegg Compound ID | Not Available |
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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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