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Benalaxyl · CAS 71626-11-4 · C20H23NO3. UNII 18TH6NY90J. LogP: 3.24; Ionization Efficiency: 3.38; Ionization Efficiency: 2.7.
| CAS Registry Number | 71626-11-4 |
|---|---|
| PubChem CID | 51369 |
| Molecular formula | C20H23NO3 |
| IUPAC name | methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate |
| UNII (FDA) | 18TH6NY90J |
| Molecular Weight | 325.4 |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 325.16779360 |
| Monoisotopic Mass | 325.16779360 |
| Topological Polar Surface Area | 46.6 |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| LogP | 3.24 |
|---|---|
| Ionization Efficiency | 3.38 |
| Ionization Efficiency | 2.7 |
| Ionization Efficiency | MeCN (80%) |
| Ionization Efficiency | DOI:10.1038/s41598-020-62573-z |
| Reported hazard statements | H302, H400, H410 |
|---|
H302: Harmful if swallowed [Warning Acute toxicity, oral]
H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
BENALAXYL; 71626-11-4; Galben; methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate; DTXSID3041619; M 9834; 18TH6NY90J; Methyl N-phenylacetyl-N-2,6-xylyl-DL-alaninate; DTXCID1021619; Methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)-DL-alaninate; Alanine, N-(2,6-dimethylphenyl)-N-(phenylacetyl)-, methyl ester; M-9834; RefChem:561235; CHEBI:3009; methyl N-phenylacetyl-N-2,6-xylylalaninate; 275-728-7
CAS 71626-11-4; molecular formula C20H23NO3; molecular weight — g/mol.
BENALAXYL, 71626-11-4, Galben, methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate, DTXSID3041619, M 9834.
Hazard statements reported: H302, H400, H410.
LogP: 3.24; Ionization Efficiency: 3.38; Ionization Efficiency: 2.7; Ionization Efficiency: MeCN (80%).
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.