N-deethylated ac1mip3e (CHEM121138)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 09:06:49 UTC | ||||||||
| Update Date | 2026-08-30 14:36:46 UTC | ||||||||
| Accession Number | CHEM121138 | ||||||||
| Identification | |||||||||
| Common Name | N-deethylated ac1mip3e | ||||||||
| Class | Small Molecule | ||||||||
| Description | N-deethylated ac1mip3e is an organic compound with the chemical formula C22H31NO3 and an average molecular weight of 357.50 g/mol. N-deethylated ac1mip3e belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. This compound has been identified in or released from 13 recorded sources across multiple sectors. Within electrical and electronic equipment, it is found in cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. In the textiles, leather and furnishings sector, it is associated with synthetic textiles as well as carpets and rugs. It is also present in food packaging from the food, food processing and cookware sector, and in medical devices from the healthcare, pharmaceuticals and veterinary products sector. Additionally, the compound is found in lubricants used within the energy, oil and gas sector, as well as in lubricants used in industrial manufacturing and chemical processing. One further sector has also been recorded as a source. Recorded exposure routes for N-deethylated ac1mip3e include inhalation, oral exposure, and touch. | ||||||||
| Contaminant Sources | Not Available | ||||||||
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C22H31NO3 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 357.230 g/mol | ||||||||
| CAS Registry Number | 146205-91-6 | ||||||||
| IUPAC Name | [5-(ethylamino)-2-methylpent-3-yn-2-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCNCC#CC(C)(C)OC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O | ||||||||
| InChI Identifier | InChI=1S/C22H31NO3/c1-4-23-17-11-16-21(2,3)26-20(24)22(25,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5,7-8,12-13,19,23,25H,4,6,9-10,14-15,17H2,1-3H3 | ||||||||
| InChI Key | BWTHWMSRTKTAFC-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
