2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-butoxyphenyl)-4-methylidenepentane-1,5-dione (CHEM347572)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 17:30:54 UTC | ||||||||
| Update Date | 2026-08-31 17:30:54 UTC | ||||||||
| Accession Number | CHEM347572 | ||||||||
| Identification | |||||||||
| Common Name | 2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-butoxyphenyl)-4-methylidenepentane-1,5-dione | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-butoxyphenyl)-4-methylidenepentane-1,5-dione is a chemical compound with the formula C31H41Cl2NO4. With an average molecular weight of 562.60 g/mol, 2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-butoxyphenyl)-4-methylidenepentane-1,5-dione is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C31H41Cl2NO4 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 561.241 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-butoxyphenyl)-4-methylidenepentane-1,5-dione | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)C(CC(=C)C(=O)C2=CC=C(C=C2)OCCCC)CN(CCCl)CCCl | ||||||||
| InChI Identifier | InChI=1S/C31H41Cl2NO4/c1-4-6-20-37-28-12-8-25(9-13-28)30(35)24(3)22-27(23-34(18-16-32)19-17-33)31(36)26-10-14-29(15-11-26)38-21-7-5-2/h8-15,27H,3-7,16-23H2,1-2H3 | ||||||||
| InChI Key | SLNUYDCJEPPESM-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 | ||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
