Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-19 03:42:51 UTC |
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Update Date | 2016-11-09 01:14:26 UTC |
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Accession Number | CHEM011667 |
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Identification |
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Common Name | 1,2-Ethanediamine, N-[2-(dimethylamino)ethyl]-N,N',N'-trimethyl- |
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Class | Small Molecule |
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Description | |
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Contaminant Sources | - HPV EPA Chemicals
- STOFF IDENT Compounds
- ToxCast & Tox21 Chemicals
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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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1,1,4,7,7-Pentamethyldiethylenetriamine | ChEBI | 2,2'-(Methylazanediyl)bis(N,N-dimethylethanamine) | ChEBI | 2,5,8-Trimethyl-2,5,8-triazanonane | ChEBI | Bis(2-dimethylaminoethyl)(methyl)amine | ChEBI | N,N',n''-pentamethyldiethylenetriamine | ChEBI | N,N,N',n'',n''-pentamethyldiethylenetriamine | ChEBI | N,N,N',n',n''-pentamethyldiethylenetriamine | ChEBI | N-(2-(Dimethylamino)ethyl)-N,n',n'-trimethyl-1,2-ethanediamine | ChEBI | Pmdien | ChEBI | PMDT | ChEBI |
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Chemical Formula | C9H23N3 |
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Average Molecular Mass | 173.304 g/mol |
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Monoisotopic Mass | 173.189 g/mol |
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CAS Registry Number | 3030-47-5 |
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IUPAC Name | (2-{[2-(dimethylamino)ethyl](methyl)amino}ethyl)dimethylamine |
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Traditional Name | pentamethyldiethylenetriamine |
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SMILES | CN(C)CCN(C)CCN(C)C |
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InChI Identifier | InChI=1S/C9H23N3/c1-10(2)6-8-12(5)9-7-11(3)4/h6-9H2,1-5H3 |
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InChI Key | UKODFQOELJFMII-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen. |
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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 | Amines |
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Direct Parent | Trialkylamines |
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Alternative Parents | |
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Substituents | - Tertiary aliphatic amine
- 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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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, Negative | splash10-00di-0900000000-320653270a138857fa4f | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00di-2900000000-4ad9bb91517779c6cf14 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0ab9-9300000000-cad5d47c205a44e07773 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00di-1900000000-d64637eb5abbe8ba4c60 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00di-9500000000-16b42419e5f5c833bae5 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00di-9100000000-1cdb40cda0614286917c | 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 | PMDTA |
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Chemspider ID | Not Available |
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ChEBI ID | 39475 |
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PubChem Compound ID | 18196 |
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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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