| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-22 06:57:43 UTC |
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| Update Date | 2016-11-09 01:16:10 UTC |
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| Accession Number | CHEM020263 |
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| Identification |
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| Common Name | Cycloguanil hydrochloride |
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| Class | Small Molecule |
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| Description | The hydrochloride salt of cycloguanil. |
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| Contaminant Sources | - ToxCast & Tox21 Chemicals
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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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| Chloroguanide triazine hydrochloride | ChEBI | | Cycloguanil HCL | ChEBI | | 1-(4-Chlorophenyl)-1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4-diamine monohydrochloride | Kegg | | 1,3,5-Triazine-2,4-diamine, 1-(4-chlorophenyl)-1,6-dihydro-6,6-dimethyl-, hydrochloride (1:1) | MeSH | | Chlorcycloguanil | MeSH | | 1-(4-Chlorophenyl)-1,6-dihydro-6,6-dimethyl-1,2,5-triazine-2,4-diamine | MeSH | | Cycloguanil | MeSH | | Cycloquanil | MeSH | | Cycloguanil hydrochloride | MeSH |
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| Chemical Formula | C11H15Cl2N5 |
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| Average Molecular Mass | 288.180 g/mol |
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| Monoisotopic Mass | 287.070 g/mol |
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| CAS Registry Number | 152-53-4 |
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| IUPAC Name | 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazinane-2,4-diimine hydrochloride |
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| Traditional Name | cycloguanil hydrochloride |
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| SMILES | Cl.CC1(C)NC(=N)NC(=N)N1C1=CC=C(Cl)C=C1 |
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| InChI Identifier | InChI=1S/C11H14ClN5.ClH/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8;/h3-6H,1-2H3,(H4,13,14,15,16);1H |
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| InChI Key | MOUAPRKJJUXEIE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as aminotriazines. These are organic compounds containing an amino group attached to a triazine ring. |
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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 | Aminotriazines |
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| Alternative Parents | |
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| Substituents | - Aminotriazine
- Chlorobenzene
- Halobenzene
- Aryl chloride
- Aryl halide
- 1,3,5-triazine
- Monocyclic benzene moiety
- Benzenoid
- Guanidine
- Azacycle
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Carboximidamide
- Organic nitrogen compound
- Imine
- Organohalogen compound
- Organochloride
- Organonitrogen compound
- Hydrochloride
- Hydrocarbon derivative
- Organopnictogen 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 LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-0090000000-f52bfc725c42e5aa77d2 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000i-0090000000-f52bfc725c42e5aa77d2 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-000i-0090000000-f52bfc725c42e5aa77d2 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0090000000-5767e5dba58d2a50d03b | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-0090000000-5767e5dba58d2a50d03b | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-000i-0090000000-5767e5dba58d2a50d03b | 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 | 79772 |
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| PubChem Compound ID | 9048 |
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| Kegg Compound ID | C15270 |
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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 | |
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