Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2021-09-10 21:13:37 UTC |
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Update Date | 2021-09-26 22:51:29 UTC |
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HMDB ID | HMDB0244026 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | 1,1-Dimethylhydrazine |
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Description | 1,1-Dimethylhydrazine, also known as dimazine, belongs to the class of organic compounds known as alkylhydrazines. These are organonitrogen compounds that containing a hydrazine group to which an alkyl group is attached. Based on a literature review a significant number of articles have been published on 1,1-Dimethylhydrazine. This compound has been identified in human blood as reported by (PMID: 31557052 ). 1,1-dimethylhydrazine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 1,1-Dimethylhydrazine is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources. |
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Structure | InChI=1S/C2H8N2/c1-4(2)3/h3H2,1-2H3 |
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Synonyms | Value | Source |
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1,1-Dimethylhydrazin | ChEBI | Dimazine | ChEBI | Gem-dimethylhydrazine | ChEBI | N,N-Dimethylhydrazine | ChEBI | Unsymmetrical dimethylhydrazine | ChEBI | 1,1-Dimethyhydrazine | HMDB | Dimazine dihydrochloride | HMDB | Dimazine hydrochloride | HMDB |
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Chemical Formula | C2H8N2 |
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Average Molecular Weight | 60.1 |
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Monoisotopic Molecular Weight | 60.068748266 |
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IUPAC Name | 1,1-dimethylhydrazine |
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Traditional Name | 1,1-dimethylhydrazine |
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CAS Registry Number | Not Available |
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SMILES | CN(C)N |
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InChI Identifier | InChI=1S/C2H8N2/c1-4(2)3/h3H2,1-2H3 |
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InChI Key | RHUYHJGZWVXEHW-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as alkylhydrazines. These are organonitrogen compounds that containing a hydrazine group to which an alkyl group is attached. |
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Kingdom | Organic compounds |
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Super Class | Organic nitrogen compounds |
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Class | Organonitrogen compounds |
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Sub Class | Hydrazines and derivatives |
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Direct Parent | Alkylhydrazines |
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Alternative Parents | |
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Substituents | - Alkylhydrazine
- Organopnictogen compound
- Hydrocarbon derivative
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedMetabolite | SMILES | Kovats RI Value | Column Type | Reference |
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1,1-Dimethylhydrazine | CN(C)N | 1012.5 | Standard polar | 33892256 | 1,1-Dimethylhydrazine | CN(C)N | 504.6 | Standard non polar | 33892256 | 1,1-Dimethylhydrazine | CN(C)N | 509.1 | Semi standard non polar | 33892256 |
DerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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1,1-Dimethylhydrazine,1TMS,isomer #1 | CN(C)N[Si](C)(C)C | 805.2 | Semi standard non polar | 33892256 | 1,1-Dimethylhydrazine,1TMS,isomer #1 | CN(C)N[Si](C)(C)C | 815.2 | Standard non polar | 33892256 | 1,1-Dimethylhydrazine,1TMS,isomer #1 | CN(C)N[Si](C)(C)C | 907.6 | Standard polar | 33892256 | 1,1-Dimethylhydrazine,2TMS,isomer #1 | CN(C)N([Si](C)(C)C)[Si](C)(C)C | 1089.6 | Semi standard non polar | 33892256 | 1,1-Dimethylhydrazine,2TMS,isomer #1 | CN(C)N([Si](C)(C)C)[Si](C)(C)C | 1019.0 | Standard non polar | 33892256 | 1,1-Dimethylhydrazine,2TMS,isomer #1 | CN(C)N([Si](C)(C)C)[Si](C)(C)C | 1005.9 | Standard polar | 33892256 | 1,1-Dimethylhydrazine,1TBDMS,isomer #1 | CN(C)N[Si](C)(C)C(C)(C)C | 1034.2 | Semi standard non polar | 33892256 | 1,1-Dimethylhydrazine,1TBDMS,isomer #1 | CN(C)N[Si](C)(C)C(C)(C)C | 991.3 | Standard non polar | 33892256 | 1,1-Dimethylhydrazine,1TBDMS,isomer #1 | CN(C)N[Si](C)(C)C(C)(C)C | 1070.9 | Standard polar | 33892256 | 1,1-Dimethylhydrazine,2TBDMS,isomer #1 | CN(C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 1441.0 | Semi standard non polar | 33892256 | 1,1-Dimethylhydrazine,2TBDMS,isomer #1 | CN(C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 1416.7 | Standard non polar | 33892256 | 1,1-Dimethylhydrazine,2TBDMS,isomer #1 | CN(C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 1263.3 | Standard polar | 33892256 |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - 1,1-Dimethylhydrazine GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2020-06-30 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 1,1-Dimethylhydrazine GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,1-Dimethylhydrazine 10V, Negative-QTOF | splash10-0a4i-9000000000-2902ab8dc71d38214670 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,1-Dimethylhydrazine 20V, Negative-QTOF | splash10-0a4i-9000000000-a34994628221d0c65043 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,1-Dimethylhydrazine 40V, Negative-QTOF | splash10-0a4l-9000000000-4809cbb2b7220ae22b3c | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,1-Dimethylhydrazine 10V, Negative-QTOF | splash10-0a4i-9000000000-268d8f24426d56d27838 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,1-Dimethylhydrazine 20V, Negative-QTOF | splash10-0a4l-9000000000-1813d7a9daa849e54b91 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,1-Dimethylhydrazine 40V, Negative-QTOF | splash10-0006-9000000000-4fee585c563dccc8b608 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,1-Dimethylhydrazine 10V, Positive-QTOF | splash10-03di-9000000000-84ed234b89f2ab3c1049 | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,1-Dimethylhydrazine 20V, Positive-QTOF | splash10-03di-9000000000-14de7790574f76a87fbb | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,1-Dimethylhydrazine 40V, Positive-QTOF | splash10-03di-9000000000-f40d82aa19dd370b9fdd | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,1-Dimethylhydrazine 10V, Positive-QTOF | splash10-03di-9000000000-deb1feba2b8cd7e680cd | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,1-Dimethylhydrazine 20V, Positive-QTOF | splash10-03dl-9000000000-bc502ea45be7b72d7e06 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,1-Dimethylhydrazine 40V, Positive-QTOF | splash10-03dl-9000000000-eea67164736f93545ccf | 2021-10-12 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum |
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