(1-bromo-3-methylpent-1-yn-3-yl) 4-aminobenzoate (CHEM283162)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-27 23:38:57 UTC | ||||||||
| Update Date | 2026-08-27 23:38:57 UTC | ||||||||
| Accession Number | CHEM283162 | ||||||||
| Identification | |||||||||
| Common Name | (1-bromo-3-methylpent-1-yn-3-yl) 4-aminobenzoate | ||||||||
| Class | Small Molecule | ||||||||
| Description | (1-bromo-3-methylpent-1-yn-3-yl) 4-aminobenzoate belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C13H14BrNO2 and an average molecular weight of 296.16 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C13H14BrNO2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 295.021 g/mol | ||||||||
| CAS Registry Number | 100380-45-8 | ||||||||
| IUPAC Name | (1-bromo-3-methylpent-1-yn-3-yl) 4-aminobenzoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCC(C)(C#CBr)OC(=O)C1=CC=C(C=C1)N | ||||||||
| InChI Identifier | InChI=1S/C13H14BrNO2/c1-3-13(2,8-9-14)17-12(16)10-4-6-11(15)7-5-10/h4-7H,3,15H2,1-2H3 | ||||||||
| InChI Key | HGMXMZRLNUIVHU-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 | |||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
