9-Octadecenoic acid (9Z)-, compd. with 1H-benzotriazole (CHEM110147)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 21:51:40 UTC | ||||||||
| Update Date | 2026-04-05 21:51:40 UTC | ||||||||
| Accession Number | CHEM110147 | ||||||||
| Identification | |||||||||
| Common Name | 9-Octadecenoic acid (9Z)-, compd. with 1H-benzotriazole | ||||||||
| Class | Small Molecule | ||||||||
| Description | 9-Octadecenoic acid (9Z)-, compd. with 1H-benzotriazole belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. This lipid and lipid-like molecule has the chemical formula C24H39N3O2 and an average molecular weight of 401.60 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C24H39N3O2 | ||||||||
| Average Molecular Mass | 401.595 g/mol | ||||||||
| Monoisotopic Mass | 401.304 g/mol | ||||||||
| CAS Registry Number | 64653-97-0 | ||||||||
| IUPAC Name | Octadec-9-enoic acid--1H-benzotriazole (1/1) | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | N1N=NC2=CC=CC=C12.CCCCCCCCC=CCCCCCCCC(O)=O | ||||||||
| InChI Identifier | InChI=1S/C18H34O2.C6H5N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-4-6-5(3-1)7-9-8-6/h9-10H,2-8,11-17H2,1H3,(H,19,20);1-4H,(H,7,8,9) | ||||||||
| InChI Key | FNPOUUYXQRTDRX-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 | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
