Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-19 03:05:04 UTC |
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Update Date | 2016-11-09 01:14:00 UTC |
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Accession Number | CHEM009443 |
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Identification |
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Common Name | 1,2-Dibenzoyl-1-tert-butylhydrazine |
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Class | Small Molecule |
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Description | |
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Contaminant Sources | |
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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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Benzoic acid, 2-benzoyl-1-(1,1-dimethylethyl)hydrazide | ChEBI | N'-benzoyl-N-tert-butylbenzohydrazide | ChEBI | RH 5849 | ChEBI | Benzoate, 2-benzoyl-1-(1,1-dimethylethyl)hydrazide | Generator | 1,2-Dibenzoyl-t-butylhydrazine | MeSH | 1,2-Dibenzoyl-tert-butylhydrazine | MeSH | N'-benzoyl-N-(tert-butyl)benzohydrazide | MeSH |
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Chemical Formula | C18H20N2O2 |
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Average Molecular Mass | 296.370 g/mol |
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Monoisotopic Mass | 296.152 g/mol |
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CAS Registry Number | 112225-87-3 |
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IUPAC Name | N-benzoyl-N-tert-butylbenzenecarbohydrazonic acid |
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Traditional Name | N-benzoyl-N-tert-butylbenzenecarbohydrazonic acid |
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SMILES | CC(C)(C)N(N=C(O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1 |
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InChI Identifier | InChI=1S/C18H20N2O2/c1-18(2,3)20(17(22)15-12-8-5-9-13-15)19-16(21)14-10-6-4-7-11-14/h4-13H,1-3H3,(H,19,21) |
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InChI Key | NISLLQUWIJASOV-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring. |
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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 | Benzoic acids and derivatives |
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Direct Parent | Benzoic acids and derivatives |
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Alternative Parents | |
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Substituents | - Benzoic acid or derivatives
- Benzoyl
- Carboxylic acid derivative
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic 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 | splash10-0002-0190000000-50b9b3adedff8a5908d1 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0007-0390000000-86cb91b058ad1c25b9c4 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-2910000000-8795371de9888a1a2b9b | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0007-0980000000-07f54471491487786784 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-002e-1490000000-f541bd5a3de41ee354d7 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-002r-9800000000-0441ac764987164ff972 | 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 | 38457 |
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PubChem Compound ID | 86307 |
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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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