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Record Information |
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Version | 4.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-13 11:40:00 UTC |
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Update Date | 2019-07-23 06:35:04 UTC |
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HMDB ID | HMDB0041802 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 2-Aminonaphthalene |
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Description | 2-Aminonaphthalene, also known as beta-naphthylamine or 2-naphthalenamine, belongs to the class of organic compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. 2-Aminonaphthalene is a strong basic compound (based on its pKa). 2-Aminonaphthalene is formally rated as a carcinogen (by IARC 1) and is also a potentially toxic compound. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. |
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Structure | |
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Synonyms | Value | Source |
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2-Naftilamina | ChEBI | 2-Naphthalenamine | ChEBI | 2-Naphthylamin | ChEBI | 6-Naphthylamine | ChEBI | beta-Naftilamina | ChEBI | beta-Naphthylamin | ChEBI | beta-Naphthylamine | ChEBI | BNA | ChEBI | b-Naftilamina | Generator | Β-naftilamina | Generator | b-Naphthylamin | Generator | Β-naphthylamin | Generator | b-Naphthylamine | Generator | Β-naphthylamine | Generator | 2-Aminonaftalen | HMDB | 2-Naftylamin | HMDB | 2-Naftylamine | HMDB | 2-Naphthalamine | HMDB | 2-Naphthylamine | HMDB | beta-Naftalamin | HMDB | beta-Naftylamin | HMDB | beta-Naftyloamina | HMDB | Fast scarlet base b | HMDB | Naphthalen-2-amine | HMDB | RCRA waste number u168 | HMDB | USAF CB-22 | HMDB | 2 Naphthylamine | HMDB | 2 Aminonaphthalene | HMDB | beta Naphthylamine | HMDB | 2-Aminonaphthalene | ChEBI |
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Chemical Formula | C10H9N |
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Average Molecular Weight | 143.1852 |
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Monoisotopic Molecular Weight | 143.073499293 |
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IUPAC Name | naphthalen-2-amine |
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Traditional Name | β naphthylamine |
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CAS Registry Number | 91-59-8 |
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SMILES | NC1=CC2=CC=CC=C2C=C1 |
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InChI Identifier | InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2 |
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InChI Key | JBIJLHTVPXGSAM-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Naphthalenes |
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Sub Class | Not Available |
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Direct Parent | Naphthalenes |
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Alternative Parents | |
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Substituents | - Naphthalene
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Primary amine
- Organonitrogen compound
- Amine
- Aromatic homopolycyclic compound
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Molecular Framework | Aromatic homopolycyclic compounds |
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External Descriptors | |
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Ontology |
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Physiological effect | Health effect: |
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Disposition | Source: Biological location: |
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Role | Indirect biological role: Biological role: Environmental role: |
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Physical Properties |
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State | Solid |
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Experimental Properties | Property | Value | Reference |
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Melting Point | 113 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 0.19 mg/mL at 25 °C | Not Available | LogP | 2.28 | Not Available |
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Predicted Properties | |
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Spectra |
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| Spectrum Type | Description | Splash Key | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-00kf-0900000000-ecc6ebe23a5149ac29ab | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-0900000000-a6e33405c02f2304cfbe | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-0900000000-bd6d778c87db23cece65 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-014i-4900000000-116c74f287b9a1de7adf | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-0900000000-a3754f2dae00f59bff44 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-0900000000-a3754f2dae00f59bff44 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-1900000000-7f97cf17cf9c604035f9 | Spectrum | MS | Mass Spectrum (Electron Ionization) | splash10-0006-2900000000-ba05510fe794c267d8ff | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum |
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Biological Properties |
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Cellular Locations | - Membrane (predicted from logP)
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Biospecimen Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | |
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Normal Concentrations |
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| Not Available |
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Abnormal Concentrations |
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| Not Available |
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Associated Disorders and Diseases |
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Disease References | None |
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Associated OMIM IDs | None |
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External Links |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | Not Available |
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KNApSAcK ID | Not Available |
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Chemspider ID | 6790 |
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KEGG Compound ID | C02227 |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | 2-Naphthylamine |
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METLIN ID | Not Available |
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PubChem Compound | 7057 |
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PDB ID | Not Available |
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ChEBI ID | 27878 |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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MarkerDB ID | |
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References |
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Synthesis Reference | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - Armeli G: [Kidney neoplasm in a subject exposed to betanaphthylamine]. Med Lav. 1968 Jun-Jul;59(6):450-4. [PubMed:5738992 ]
- Martynenko AG, Romanenko AM, Kartasheva LA: [Effect of liver functional disorders on the development of betanaphthylamine-induced tumors of the bladder in dogs]. Patol Fiziol Eksp Ter. 1973 May-Jun;17(3):55-6. [PubMed:4750976 ]
- Mancuso TF, el-Attar AA: Cohort study of workers exposed to betanaphthylamine and benzidine. J Occup Med. 1967 Jun;9(6):277-85. [PubMed:6026374 ]
- Ma XH, Sun GQ, Zhao YH, Jia XM: [Study on the properties of a novel glycine amino peptidase from Actinomucor elegans]. Sheng Wu Gong Cheng Xue Bao. 2004 Jul;20(4):578-83. [PubMed:15968992 ]
- Bul'bulian MA: [An epidemiological study of the cancer morbidity in persons having industrial contact with carcinogenic amino compounds]. Vopr Onkol. 1991;37(3):275-9. [PubMed:2031321 ]
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