| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 01:51:02 UTC |
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| Update Date | 2016-11-09 01:09:22 UTC |
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| Accession Number | CHEM004557 |
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| Identification |
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| Common Name | Hydramethylnon |
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| Class | Small Molecule |
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| Description | |
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| Contaminant Sources | - Clean Air Act Chemicals
- HPV EPA Chemicals
- STOFF IDENT Compounds
- 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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| (1E,4E)-1,5-Bis[4-(trifluoromethyl)phenyl]-1,4-pentadien-3-one (5,5-dimethyltetrahydro-2(1H)-pyrimidinylidene)hydrazone | ChEBI | | Amdro | ChEBI | | Hydromethylnon | MeSH | | Hydramethylnon | MeSH |
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| Chemical Formula | C25H24F6N4 |
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| Average Molecular Mass | 494.485 g/mol |
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| Monoisotopic Mass | 494.191 g/mol |
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| CAS Registry Number | 67485-29-4 |
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| IUPAC Name | 2-{2-[(1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-ylidene]hydrazin-1-yl}-5,5-dimethyl-1,4,5,6-tetrahydropyrimidine |
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| Traditional Name | hydramethylnon |
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| SMILES | [H]\C(=C(\[H])C1=CC=C(C=C1)C(F)(F)F)C(=NNC1=NCC(C)(C)CN1)C(\[H])=C(/[H])C1=CC=C(C=C1)C(F)(F)F |
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| InChI Identifier | InChI=1S/C25H24F6N4/c1-23(2)15-32-22(33-16-23)35-34-21(13-7-17-3-9-19(10-4-17)24(26,27)28)14-8-18-5-11-20(12-6-18)25(29,30)31/h3-14H,15-16H2,1-2H3,(H2,32,33,35)/b13-7+,14-8+ |
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| InChI Key | IQVNEKKDSLOHHK-FNCQTZNRSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Benzene and substituted derivatives |
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| Sub Class | Trifluoromethylbenzenes |
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| Direct Parent | Trifluoromethylbenzenes |
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| Alternative Parents | |
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| Substituents | - Trifluoromethylbenzene
- Styrene
- Hydropyrimidine
- 1,4,5,6-tetrahydropyrimidine
- Guanidine
- Azacycle
- Organoheterocyclic compound
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Carboximidamide
- Organic nitrogen compound
- Organonitrogen compound
- Organofluoride
- Organohalogen compound
- Alkyl halide
- Alkyl fluoride
- 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 | splash10-00kb-0309500000-db181313625e675b1c70 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0gbi-4209300000-d65af7ad6844ef6f2580 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-006t-1936000000-43ce161d28af6579997d | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0f6x-0409800000-527697ada8d030e9b203 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4i-6205900000-c1a589e55bda1926e958 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0f6x-9102000000-f8d3b0c7eb5477d64d11 | 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 | 38531 |
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| PubChem Compound ID | 5281875 |
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| Kegg Compound ID | C10994 |
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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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