2-[(4-butoxybenzoyl)amino]acetic acid (CHEM173539)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-19 01:12:29 UTC | ||||||||
| Update Date | 2026-08-19 01:12:29 UTC | ||||||||
| Accession Number | CHEM173539 | ||||||||
| Identification | |||||||||
| Common Name | 2-[(4-butoxybenzoyl)amino]acetic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-[(4-butoxybenzoyl)amino]acetic acid (C13H17NO4) is an organic compound with an average molecular weight of 251.28 g/mol. 2-[(4-butoxybenzoyl)amino]acetic acid belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is classified as a benzenoid. This compound has been identified in or released from one recorded source, specifically household cleaning and consumer products associated with non-electric simulated smoking devices. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C13H17NO4 | ||||||||
| Average Molecular Mass | 251.280 g/mol | ||||||||
| Monoisotopic Mass | 251.116 g/mol | ||||||||
| CAS Registry Number | 51220-55-4 | ||||||||
| IUPAC Name | 2-[(4-butoxybenzoyl)amino]acetic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C13H17NO4/c1-2-3-8-18-11-6-4-10(5-7-11)13(17)14-9-12(15)16/h4-7H,2-3,8-9H2,1H3,(H,14,17)(H,15,16) | ||||||||
| InChI Key | UCEXMJMSILZCHZ-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 | |||||||||
| Not Available | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
