[4-[bis(2-chloroethyl)amino]phenyl] octanoate (CHEM310320)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-29 11:29:14 UTC | ||||||||
| Update Date | 2026-08-29 11:29:14 UTC | ||||||||
| Accession Number | CHEM310320 | ||||||||
| Identification | |||||||||
| Common Name | [4-[bis(2-chloroethyl)amino]phenyl] octanoate | ||||||||
| Class | Small Molecule | ||||||||
| Description | [4-[bis(2-chloroethyl)amino]phenyl] octanoate is a chemical compound with the formula C18H27Cl2NO2. It has an average molecular weight of 360.30 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C18H27Cl2NO2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 359.142 g/mol | ||||||||
| CAS Registry Number | 83626-91-9 | ||||||||
| IUPAC Name | [4-[bis(2-chloroethyl)amino]phenyl] octanoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCCCCC(=O)OC1=CC=C(C=C1)N(CCCl)CCCl | ||||||||
| InChI Identifier | InChI=1S/C18H27Cl2NO2/c1-2-3-4-5-6-7-18(22)23-17-10-8-16(9-11-17)21(14-12-19)15-13-20/h8-11H,2-7,12-15H2,1H3 | ||||||||
| InChI Key | ZZINJKRQHRPDGX-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 | |||||||||
| Not Available | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
