.Beta.-Alanine, N-(2-cyanoethyl)-N-phenyl-, methyl ester (CHEM073863)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 11:16:19 UTC | ||||||||
| Update Date | 2026-08-19 00:28:15 UTC | ||||||||
| Accession Number | CHEM073863 | ||||||||
| Identification | |||||||||
| Common Name | .Beta.-Alanine, N-(2-cyanoethyl)-N-phenyl-, methyl ester | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C13H16N2O2 | ||||||||
| Average Molecular Mass | 232.283 g/mol | ||||||||
| Monoisotopic Mass | 232.121 g/mol | ||||||||
| CAS Registry Number | 67892-95-9 | ||||||||
| IUPAC Name | methyl 3-[N-(2-cyanoethyl)anilino]propanoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | COC(=O)CCN(CCC#N)C1=CC=CC=C1 | ||||||||
| InChI Identifier | InChI=1S/C13H16N2O2/c1-17-13(16)8-11-15(10-5-9-14)12-6-3-2-4-7-12/h2-4,6-7H,5,8,10-11H2,1H3 | ||||||||
| InChI Key | CWCYJRVQCBCDTJ-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 | ||||||||
