[4-[bis(2-chloroethyl)amino]phenyl] octadecanoate (CHEM344692)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 12:58:32 UTC | ||||||||
| Update Date | 2026-08-31 12:58:32 UTC | ||||||||
| Accession Number | CHEM344692 | ||||||||
| Identification | |||||||||
| Common Name | [4-[bis(2-chloroethyl)amino]phenyl] octadecanoate | ||||||||
| Class | Small Molecule | ||||||||
| Description | [4-[bis(2-chloroethyl)amino]phenyl] octadecanoate is a chemical compound with the formula C28H47Cl2NO2. With an average molecular weight of 500.60 g/mol, [4-[bis(2-chloroethyl)amino]phenyl] octadecanoate is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C28H47Cl2NO2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 499.298 g/mol | ||||||||
| CAS Registry Number | 67497-44-3 | ||||||||
| IUPAC Name | [4-[bis(2-chloroethyl)amino]phenyl] octadecanoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)N(CCCl)CCCl | ||||||||
| InChI Identifier | InChI=1S/C28H47Cl2NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(32)33-27-20-18-26(19-21-27)31(24-22-29)25-23-30/h18-21H,2-17,22-25H2,1H3 | ||||||||
| InChI Key | IFAIBLNWILYRPX-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 | ||||||||
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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 | ||||||||
