| Record Information |
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| Version | 1.0 |
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| Creation date | 2010-04-08 22:06:53 UTC |
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| Update date | 2019-11-26 03:00:50 UTC |
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| Primary ID | FDB005892 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | Phenylhydrazine |
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| Description | Phenylhydrazine, also known as hydrazinobenzene or phenyldiazane, is a member of the class of compounds known as phenylhydrazines. Phenylhydrazines are compounds containing a phenylhydrazide moiety, which consists of a hydrazide substituent attached to a phenyl group. Phenylhydrazine is soluble (in water) and a very strong basic compound (based on its pKa). Phenylhydrazine can be found in sweet bay, which makes phenylhydrazine a potential biomarker for the consumption of this food product. Phenylhydrazine is the chemical compound with the formula C6H5NHNH2. It is often abbreviated as PhNHNH2 . |
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| CAS Number | 100-63-0 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 1-PHENYLHYDRAZINE | ChEBI | | Hydrazinobenzene | ChEBI | | Hydrazobenzene | ChEBI | | Monophenylhydrazine | ChEBI | | Phenyldiazane | ChEBI | | Phenylhydrazin | ChEBI | | PHNHNH2 | ChEBI | | Phenylhydrazide | MeSH | | Phenylhydrazine hydrochloride | MeSH | | Phenylhydrazine monohydrochloride | MeSH | | Phenylhydrazine monosulfate | MeSH | | 1-Phenylhydrazine | biospider | | Fenilidrazina | biospider | | Fenylhydrazine | biospider | | Hydrazine, phenyl-, hydrochloride | biospider | | Hydrazine, phenyl-, hydrochloride (1:1) | biospider | | Hydrazine, phenyl-, monohydrochloride | biospider | | Phenylhydrazin hydrochlorid | biospider | | Phenylhydrazine HCL | biospider | | Phenylhydrazine hydrochlorid | biospider | | Phenylhydrazine hydrochloride (van) | biospider | | Phenylhydrazine-HCL | biospider | | Phenylhydrazine.cntdot.HCL | biospider | | Phenylhydrazine.HCL | biospider | | Phenylhydrazinium chloride | biospider |
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| Predicted Properties | |
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| Chemical Formula | C6H8N2 |
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| IUPAC name | phenylhydrazine |
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| InChI Identifier | InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2 |
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| InChI Key | HKOOXMFOFWEVGF-UHFFFAOYSA-N |
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| Isomeric SMILES | NNC1=CC=CC=C1 |
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| Average Molecular Weight | 108.1411 |
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| Monoisotopic Molecular Weight | 108.068748266 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as phenylhydrazines. Phenylhydrazines are compounds containing a phenylhydrazide moiety, which consists of a hydrazide substituent attached to a phenyl group. |
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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 | Phenylhydrazines |
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| Direct Parent | Phenylhydrazines |
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| Alternative Parents | |
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| Substituents | - Phenylhydrazine
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Hydrazine derivative
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Ontology | No ontology term |
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| Physico-Chemical Properties - Experimental |
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| Physico-Chemical Properties - Experimental | | Property | Value | Reference |
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| Physical state | liquid | |
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| Physical Description | Not Available | |
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| Mass Composition | Not Available | |
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| Melting Point | 19.6 oC | |
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| Boiling Point | Not Available | |
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| Experimental Water Solubility | 127 mg/mL at 25 oC | VALVANI,SC et al. (1981) |
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| Experimental logP | 1.25 | HANSCH,C ET AL. (1995) |
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| Experimental pKa | 5.21 | |
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| Isoelectric point | Not Available | |
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| Charge | Not Available | |
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| Optical Rotation | Not Available | |
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| Spectroscopic UV Data | Not Available | |
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| Density | Not Available | |
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| Refractive Index | Not Available | |
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| Spectra |
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| Spectra | |
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| EI-MS/GC-MS | Not Available |
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| MS/MS | | Type | Description | Splash Key | View |
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| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a4i-0900000000-7e4a039ac643774eff4e | Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4i-5900000000-cdf25c62f80acbfd5ab9 | Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-014l-9000000000-fb55020d3202a0992e0e | Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4i-4900000000-c58b776073e02f120c76 | Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4i-3900000000-1b3e9a8ecb3130f4a885 | Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-056u-9100000000-36873e8e35cb75411c7a | Spectrum |
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| NMR | Not Available |
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| External Links |
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| ChemSpider ID | Not Available |
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| ChEMBL ID | Not Available |
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| KEGG Compound ID | C02304 |
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| Pubchem Compound ID | 60962 |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | 27924 |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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| EAFUS ID | Not Available |
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| Dr. Duke ID | PHENYLHYDRAZINE |
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| BIGG ID | Not Available |
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| KNApSAcK ID | Not Available |
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| HET ID | Not Available |
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| Food Biomarker Ontology | Not Available |
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| VMH ID | Not Available |
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| Flavornet ID | Not Available |
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| GoodScent ID | Not Available |
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| SuperScent ID | Not Available |
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| Wikipedia ID | Not Available |
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| Phenol-Explorer Metabolite ID | Not Available |
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| Duplicate IDS | Not Available |
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| Old DFC IDS | Not Available |
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| Associated Foods |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Biological Effects and Interactions |
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| Health Effects / Bioactivities | | Descriptor | ID | Definition | Reference |
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| insectifuge | 24852 | Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. | DUKE | | pesticide | 25944 | Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. | DUKE |
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| Enzymes | Not Available |
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| Pathways | Not Available |
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| Metabolism | Not Available |
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| Biosynthesis | Not Available |
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| Organoleptic Properties |
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| Flavours | Not Available |
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| Files |
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| MSDS | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| General Reference | Not Available |
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| Content Reference | — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
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