Record Information |
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Version | 2.0 |
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Creation Date | 2014-09-11 05:18:28 UTC |
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Update Date | 2014-12-24 20:26:57 UTC |
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Accession Number | T3D4834 |
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Identification |
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Common Name | Metenamine |
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Class | Small Molecule |
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Description | Metenamine belongs to the family of Aminals. These are organic compounds containing the aminal functional group.
Metenamine is an antimicrobial food preservative, but is of limited use and usage is declining. It is used to prevent "late blowing" of hard cheese by inhibiting growth of unwanted bacteria. Presently (2002) its European use is limited to one type of Italian cheese, Provolone. It acts by releasing formaldehyde under acidic conditions. |
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Compound Type | - Amine
- Food Additive
- Food Toxin
- Household Toxin
- Metabolite
- Organic Compound
- Preservative
- Synthetic Compound
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Chemical Structure | |
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Synonyms | Synonym | 1,3,5,7-Tetraazaadamantane | 1,3,5,7-Tetraazatricyclo (3.3.1.1(3,7))decane | 1,3,5,7-Tetraazatricyclo(3.3.1.13,7)decane | 1,3,5,7-Tetraazatricyclo(3.3.1.13,7)decane hydroiodide | 1,3,5,7-Tetraazatricyclo(3.3.1.137)decane | 1,3,5,7-Tetraazatricyclo[3.3.1.1(3,7)]decane | 1,3,5,7-Tetraazatricyclo[3.3.1.13,7 ]decane | 1,3,5,7-Tetraazatricyclo[3.3.1.1~3,7~]decane | Aceto HMT | Aminoform | Aminoformaldehyde | Ammoform | Ammonioformaldehyde | Antihydral | Carin | Cystamin | Cystogen | Duirexol | E239 | Ekagom h | Esametilentetramina | Formaldehyde-ammonia 6:4 | Formamine | Formin | Formin (heterocycle) | Formin (the heterocyclic compound) | Grasselerator 102 | H.m.t. | Herax UTS | Heterin | HEX | Hexa | Hexa (vulcanization accelerator) | Hexa-flo-pulver | Hexaform | Hexaloids | Hexamethylamine | Hexamethylenamine | Hexamethylene tetramine | Hexamethyleneamine | Hexamethylenetetraamine | Hexamethylenetetramine | Hexamethylenetetramine (aliphatic) | Hexamethylenetetramine, 8CI | Hexamethylenetetramine, acs | Hexamethylenetetramine-palladium chloride adduct | Hexamethylenetetraminum | Hexamethylentetramin | Hexamethylentetramine | Hexamethylentetraminum | Hexamine | Hexamine (heterocycle) | Hexamine silver | Hexaminum | Hexasan | Hexilmethylenamine | HMT | HMTA | Mandelamine | Metenamina | Methamin | Methenamin | Methenamine | Methenamine silver | Methenaminum | Metramine | Naphthamine | Natasol fast orange GR salt | Nocceler H | Preparation af | Resotropin | S 4 (Heterocycle) | Sanceler h | Silver methenamine | Tetraazaadamantane | Uramin | Uratrine | Urisol | Uritone | Uro-phosphate | Urodeine | Urotropin | Urotropine | Vesaloin | Vesalvine | Vulkacit H 30 | Vulkacit H30 | Xametrin | [16]-Adamazane, INN |
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Chemical Formula | C6H12N4 |
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Average Molecular Mass | 140.186 g/mol |
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Monoisotopic Mass | 140.106 g/mol |
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CAS Registry Number | 100-97-0 |
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IUPAC Name | 1,3,5,7-tetraazatricyclo[3.3.1.1^{3,7}]decane |
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Traditional Name | 1,3,5,7-tetraazatricyclo[3.3.1.1^{3,7}]decane |
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SMILES | C1N2CN3CN1CN(C2)C3 |
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InChI Identifier | InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2 |
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InChI Key | InChIKey=VKYKSIONXSXAKP-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as 1,3,5-triazinanes. These are triazinanes having three nitrogen ring atoms at the 1-, 3-, and 5- positions. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Triazinanes |
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Sub Class | 1,3,5-triazinanes |
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Direct Parent | 1,3,5-triazinanes |
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Alternative Parents | |
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Substituents | - 1,3,5-triazinane
- Azacycle
- Aminal
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Aliphatic heteropolycyclic compound
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Molecular Framework | Aliphatic heteropolycyclic 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 | Exogenous |
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Cellular Locations | |
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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 | Solid |
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Appearance | White powder. |
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Experimental Properties | Property | Value |
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Melting Point | > 250 °C | Boiling Point | Not Available | Solubility | 449 mg/mL at 12 °C | LogP | 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 GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-0006-0900000000-37095c7b831e11e5eee2 | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | JSpectraViewer | LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , positive | splash10-0006-0900000000-05c8e159897335060443 | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , positive | splash10-01ox-2900000000-86fe33e31cc8f7108c14 | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , positive | splash10-01ti-9300000000-7eb44254c8cc65c09acd | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , positive | splash10-004i-9000000000-fd4edf8f48f9c42bca0c | JSpectraViewer | MoNA | LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , positive | splash10-004l-9000000000-371b89c99afba4931848 | JSpectraViewer | MoNA | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-0900000000-fdd6b719cb07e4102442 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-0900000000-fdd6b719cb07e4102442 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-0900000000-fdd6b719cb07e4102442 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0900000000-4c20ce3a6256ce9cf869 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-0900000000-4c20ce3a6256ce9cf869 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-000i-0900000000-4c20ce3a6256ce9cf869 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0900000000-df90583457c277060500 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-0900000000-df90583457c277060500 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-000i-0900000000-df90583457c277060500 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-0900000000-96b1ccc7b2dbac963a64 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-0900000000-96b1ccc7b2dbac963a64 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-0900000000-96b1ccc7b2dbac963a64 | JSpectraViewer | MS | Mass Spectrum (Electron Ionization) | splash10-0006-9300000000-e762ea01823717c4bda9 | JSpectraViewer | MoNA | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer |
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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) | No indication of carcinogenicity to humans (not listed by IARC). |
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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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Normal Concentrations |
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| Not Available |
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Abnormal Concentrations |
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External Links |
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DrugBank ID | Not Available |
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HMDB ID | HMDB29598 |
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PubChem Compound ID | 4101 |
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ChEMBL ID | CHEMBL1201270 |
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ChemSpider ID | 3959 |
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KEGG ID | Not Available |
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UniProt ID | Not Available |
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OMIM ID | |
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ChEBI ID | 6824 |
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BioCyc ID | Not Available |
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CTD ID | Not Available |
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Stitch ID | Not Available |
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PDB ID | Not Available |
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ACToR ID | Not Available |
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Wikipedia Link | Not Available |
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References |
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Synthesis Reference | Not Available |
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MSDS | T3D4834.pdf |
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General References | - Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.
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Gene Regulation |
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Up-Regulated Genes | Not Available |
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Down-Regulated Genes | Not Available |
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