4-Hydroxy-3,3,4-trimethyl-1-(1-pentyl-1H-indol-3-yl)-1-pentanone (CHEM117588)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 04:39:35 UTC | ||||||||
| Update Date | 2026-04-06 04:39:35 UTC | ||||||||
| Accession Number | CHEM117588 | ||||||||
| Identification | |||||||||
| Common Name | 4-Hydroxy-3,3,4-trimethyl-1-(1-pentyl-1H-indol-3-yl)-1-pentanone | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C21H31NO2 | ||||||||
| Average Molecular Mass | 329.484 g/mol | ||||||||
| Monoisotopic Mass | 329.235 g/mol | ||||||||
| CAS Registry Number | 1445751-38-1 | ||||||||
| IUPAC Name | 4-hydroxy-3,3,4-trimethyl-1-(1-pentylindol-3-yl)pentan-1-one | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCCN1C=C(C(=O)CC(C)(C)C(C)(C)O)C2=CC=CC=C12 | ||||||||
| InChI Identifier | InChI=1S/C21H31NO2/c1-6-7-10-13-22-15-17(16-11-8-9-12-18(16)22)19(23)14-20(2,3)21(4,5)24/h8-9,11-12,15,24H,6-7,10,13-14H2,1-5H3 | ||||||||
| InChI Key | GWHGUYKAGQLPTQ-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 | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
