(4-(4,4'-Bis(2-carboxyethoxy)benzhydrylidene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium (CHEM074284)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 12:12:49 UTC | ||||||||
| Update Date | 2026-04-04 12:12:49 UTC | ||||||||
| Accession Number | CHEM074284 | ||||||||
| Identification | |||||||||
| Common Name | (4-(4,4'-Bis(2-carboxyethoxy)benzhydrylidene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C27H30N2O6 | ||||||||
| Average Molecular Mass | 480.560 g/mol | ||||||||
| Monoisotopic Mass | 478.210 g/mol | ||||||||
| CAS Registry Number | 69059-95-6 | ||||||||
| IUPAC Name | [1-(azaniumylmethyl)-4-[bis[4-(2-carboxyethoxy)phenyl]methylidene]cyclohexa-2,5-dien-1-yl]methylazanium | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [NH3+]CC1(C[NH3+])C=CC(C=C1)=C(C1=CC=C(OCCC(O)=O)C=C1)C1=CC=C(OCCC(O)=O)C=C1 | ||||||||
| InChI Identifier | InChI=1S/C27H30N2O6/c28-17-27(18-29)13-9-21(10-14-27)26(19-1-5-22(6-2-19)34-15-11-24(30)31)20-3-7-23(8-4-20)35-16-12-25(32)33/h1-10,13-14H,11-12,15-18,28-29H2,(H,30,31)(H,32,33) | ||||||||
| InChI Key | DQQXXIXWXMZJEM-UHFFFAOYSA-P | ||||||||
| 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 |
| ||||||||
| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
| ||||||||
| 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 | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
